2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate

C218H274N38O102S37 — CID 159837102

IUPAC2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate
SMILESCCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CCCCCO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CSCCO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)OCc3ccccc3CO[N+](=O)[O-])cc21
InChIInChI=1S/C21H28N4O10S3.3C19H23N3O8S3.3C18H21N3O9S3.3C18H21N3O8S3.C16H26N4O9S4.C16H25N3O8S3/c1-3-22-18-12-24(9-6-10-33-2)38(31,32)20-17(18)11-19(36-20)37(29,30)23-21(26)34-13-15-7-4-5-8-16(15)14-35-25(27)28;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-4-6-14(7-5-13)11-30-22(24)25;1-3-20-16-7-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-5-4-6-14(8-13)11-30-22(24)25;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-6-4-5-7-14(13)11-30-22(24)25;1-3-19-15-8-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-14-8-11(2)32(25,26)17-13(14)9-16(31-17)33(27,28)20-18(22)30-15-7-5-4-6-12(15)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-7-5-4-6-12(13)10-29-21(23)24;1-3-17-13-10-19(5-4-6-28-2)33(26,27)16-12(13)9-15(31-16)32(24,25)18-14(21)11-30-8-7-29-20(22)23;1-3-17-13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(25,26)18-14(20)7-5-4-6-8-27-19(21)22/h4-5,7-8,11,18,22H,3,6,9-10,12-14H2,1-2H3,(H,23,26);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-6,8,10,12,16,20H,3,7,9,11H2,1-2H3,(H,21,23);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,14,19H,3,8,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);9,13,17H,3-8,10-11H2,1-2H3,(H,18,21);10-11,13,17H,3-9H2,1-2H3,(H,18,20)/t18-;3*12?,16-;2*11?,15-;11?,14-;3*11?,15-;13-;11?,13-/m000000000000/s1
InChIKeyNOFKFUQAJAHSNF-HCZQXMAZSA-N
MW6245.23 g/mol
LogP20.47
Rot. Bonds113

About 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate

2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate (PubChem CID 159837102) has the molecular formula C218H274N38O102S37 and a molecular weight of 6245.23 g/mol. Its IUPAC name is 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate.

Molecular Properties

Compound Name2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate
PubChem CID159837102
Molecular FormulaC218H274N38O102S37
Molecular Weight6245.23 g/mol
Exact Mass6238.71
IUPAC Name2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate
SMILESCCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CCCCCO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CSCCO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)OCc3ccccc3CO[N+](=O)[O-])cc21
InChIInChI=1S/C21H28N4O10S3.3C19H23N3O8S3.3C18H21N3O9S3.3C18H21N3O8S3.C16H26N4O9S4.C16H25N3O8S3/c1-3-22-18-12-24(9-6-10-33-2)38(31,32)20-17(18)11-19(36-20)37(29,30)23-21(26)34-13-15-7-4-5-8-16(15)14-35-25(27)28;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-4-6-14(7-5-13)11-30-22(24)25;1-3-20-16-7-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-5-4-6-14(8-13)11-30-22(24)25;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-6-4-5-7-14(13)11-30-22(24)25;1-3-19-15-8-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-14-8-11(2)32(25,26)17-13(14)9-16(31-17)33(27,28)20-18(22)30-15-7-5-4-6-12(15)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-7-5-4-6-12(13)10-29-21(23)24;1-3-17-13-10-19(5-4-6-28-2)33(26,27)16-12(13)9-15(31-16)32(24,25)18-14(21)11-30-8-7-29-20(22)23;1-3-17-13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(25,26)18-14(20)7-5-4-6-8-27-19(21)22/h4-5,7-8,11,18,22H,3,6,9-10,12-14H2,1-2H3,(H,23,26);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-6,8,10,12,16,20H,3,7,9,11H2,1-2H3,(H,21,23);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,14,19H,3,8,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);9,13,17H,3-8,10-11H2,1-2H3,(H,18,21);10-11,13,17H,3-9H2,1-2H3,(H,18,20)/t18-;3*12?,16-;2*11?,15-;11?,14-;3*11?,15-;13-;11?,13-/m000000000000/s1
InChIKeyNOFKFUQAJAHSNF-HCZQXMAZSA-N
XLogP20.47
TPSA2003.22 Ų
H-Bond Donors24
H-Bond Acceptors127
Rotatable Bonds113
Heavy Atoms395
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006245.23
LogP ≤ 520.47
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 10127

Analyze 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate?
The IUPAC name of 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate (CID 159837102) is 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate.
What is the SMILES notation for 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate?
The canonical SMILES for 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate is CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CCCCCO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Cc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)Oc3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccc(CO[N+](=O)[O-])cc3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3cccc(CO[N+](=O)[O-])c3)cc21.CCN[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)c3ccccc3CO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)CSCCO[N+](=O)[O-])cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)OCc3ccccc3CO[N+](=O)[O-])cc21.
What is the InChIKey of 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate?
The InChIKey is NOFKFUQAJAHSNF-HCZQXMAZSA-N. The full InChI is InChI=1S/C21H28N4O10S3.3C19H23N3O8S3.3C18H21N3O9S3.3C18H21N3O8S3.C16H26N4O9S4.C16H25N3O8S3/c1-3-22-18-12-24(9-6-10-33-2)38(31,32)20-17(18)11-19(36-20)37(29,30)23-21(26)34-13-15-7-4-5-8-16(15)14-35-25(27)28;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-4-6-14(7-5-13)11-30-22(24)25;1-3-20-16-7-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-5-4-6-14(8-13)11-30-22(24)25;1-3-20-16-8-12(2)32(26,27)19-15(16)10-18(31-19)33(28,29)21-17(23)9-13-6-4-5-7-14(13)11-30-22(24)25;1-3-19-15-8-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)32(25,26)17-14(15)9-16(31-17)33(27,28)20-18(22)30-13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-14-8-11(2)32(25,26)17-13(14)9-16(31-17)33(27,28)20-18(22)30-15-7-5-4-6-12(15)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-12(5-7-13)10-29-21(23)24;1-3-19-15-7-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-6-4-5-12(8-13)10-29-21(23)24;1-3-19-15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(27,28)20-17(22)13-7-5-4-6-12(13)10-29-21(23)24;1-3-17-13-10-19(5-4-6-28-2)33(26,27)16-12(13)9-15(31-16)32(24,25)18-14(21)11-30-8-7-29-20(22)23;1-3-17-13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(25,26)18-14(20)7-5-4-6-8-27-19(21)22/h4-5,7-8,11,18,22H,3,6,9-10,12-14H2,1-2H3,(H,23,26);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-6,8,10,12,16,20H,3,7,9,11H2,1-2H3,(H,21,23);4-7,10,12,16,20H,3,8-9,11H2,1-2H3,(H,21,23);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,14,19H,3,8,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);4-6,8-9,11,15,19H,3,7,10H2,1-2H3,(H,20,22);4-7,9,11,15,19H,3,8,10H2,1-2H3,(H,20,22);9,13,17H,3-8,10-11H2,1-2H3,(H,18,21);10-11,13,17H,3-9H2,1-2H3,(H,18,20)/t18-;3*12?,16-;2*11?,15-;11?,14-;3*11?,15-;13-;11?,13-/m000000000000/s1.
What are the key properties of 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate?
2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate has a molecular weight of 6245.23 g/mol, XLogP of 20.47, 113 rotatable bonds, 24 hydrogen bond donors, and 127 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-2-oxoethyl]sulfanylethyl nitrate;[2-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[3-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[4-[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-2-oxoethyl]phenyl]methyl nitrate;[6-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-6-oxohexyl] nitrate;[2-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[3-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[4-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylcarbamoyl]phenyl]methyl nitrate;[2-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[3-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[4-(nitrooxymethyl)phenyl] N-[[(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]carbamate;[2-(nitrooxymethyl)phenyl]methyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate is sourced from PubChem (CID 159837102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).