About 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate
2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate (PubChem CID 172949642) has the molecular formula C182H193ClN12O42S4
and a molecular weight of 3384.31 g/mol. Its IUPAC name is 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate.
Frequently Asked Questions
What is the IUPAC name of 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate?
The IUPAC name of 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate (CID 172949642) is 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate.
What is the SMILES notation for 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate?
The canonical SMILES for 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOC(=O)/C=C/c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(/C=C/C(=O)OCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(/C=N/Nc3nc(-c4ccc5ccccc5c4)cs3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(/C=N/Nc3nc4c(ccc5ccccc54)s3)c2)cc1.C=CC(=O)OCOc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccc(Cl)cc4s3)c2)cc1.
What is the InChIKey of 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate?
The InChIKey is YIRJTGQZUMKHHJ-VVRCQWGZSA-N. The full InChI is InChI=1S/C44H35N3O10S.C42H31N3O12S.C42H33N3O10S.C38H30ClN3O10S.16CH4/c1-3-40(48)55-27-53-36-16-12-31(13-17-36)42(50)52-22-21-29-9-20-39(57-43(51)32-14-18-37(19-15-32)54-28-56-41(49)4-2)35(23-29)25-45-47-44-46-38(26-58-44)34-11-10-30-7-5-6-8-33(30)24-34;1-3-36(46)52-25-54-38(48)21-13-27-9-15-29(16-10-27)40(50)56-32-19-20-34(31(23-32)24-43-45-42-44-33-7-5-6-8-35(33)58-42)57-41(51)30-17-11-28(12-18-30)14-22-39(49)55-26-53-37(47)4-2;1-3-37(46)53-25-51-32-15-10-29(11-16-32)40(48)50-22-21-27-9-19-35(55-41(49)30-12-17-33(18-13-30)52-26-54-38(47)4-2)31(23-27)24-43-45-42-44-39-34-8-6-5-7-28(34)14-20-36(39)56-42;1-3-34(43)50-22-48-29-11-6-25(7-12-29)36(45)47-18-17-24-5-16-32(52-37(46)26-8-13-30(14-9-26)49-23-51-35(44)4-2)27(19-24)21-40-42-38-41-31-15-10-28(39)20-33(31)53-38;;;;;;;;;;;;;;;;/h3-20,23-26H,1-2,21-22,27-28H2,(H,46,47);3-24H,1-2,25-26H2,(H,44,45);3-20,23-24H,1-2,21-22,25-26H2,(H,44,45);3-16,19-21H,1-2,17-18,22-23H2,(H,41,42);16*1H4/b45-25+;21-13+,22-14+,43-24+;43-24+;40-21+;;;;;;;;;;;;;;;;.
What are the key properties of 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate?
2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate has a molecular weight of 3384.31 g/mol, XLogP of 39.79, 69 rotatable bonds, 4 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-(benzo[e][1,3]benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-oxo-3-(prop-2-enoyloxymethoxy)prop-1-enyl]benzoate;2-[3-[(E)-[(6-chloro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate;methane;2-[3-[(E)-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate is sourced from PubChem (CID 172949642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).