About (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
(2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 157439771) has the molecular formula C101H106Cl3N15O12S3
and a molecular weight of 1924.61 g/mol. Its IUPAC name is (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 157439771) is (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CCN1CCN(c2nn(C)c3ccc(-c4nc5cc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c6ccc(Cl)cc6)c5s4)cc23)C1=O.CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(N3CCN(CC)C3=O)nn4C)sc2c1-c1ccc(Cl)cc1.CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(N3CCNC3=O)nn4C)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is BRNJMUJSFOTOBM-KKJBIKIGSA-N. The full InChI is InChI=1S/C35H38ClN5O4S.2C33H34ClN5O4S/c1-8-40-16-17-41(34(40)43)31-24-19-22(12-15-26(24)39(7)38-31)32-37-25-18-20(3)27(29(33(42)44-9-2)45-35(4,5)6)28(30(25)46-32)21-10-13-23(36)14-11-21;1-7-38-14-15-39(32(38)42)29-22-17-20(10-13-24(22)37(6)36-29)30-35-23-16-18(2)25(27(31(40)41)43-33(3,4)5)26(28(23)44-30)19-8-11-21(34)12-9-19;1-7-42-31(40)27(43-33(3,4)5)25-18(2)16-23-28(26(25)19-8-11-21(34)12-9-19)44-30(36-23)20-10-13-24-22(17-20)29(37-38(24)6)39-15-14-35-32(39)41/h10-15,18-19,29H,8-9,16-17H2,1-7H3;8-13,16-17,27H,7,14-15H2,1-6H3,(H,40,41);8-13,16-17,27H,7,14-15H2,1-6H3,(H,35,41)/t29-;2*27-/m000/s1.
What are the key properties of (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
(2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1924.61 g/mol, XLogP of 23.27, 22 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[7-(4-chlorophenyl)-2-[3-(3-ethyl-2-oxoimidazolidin-1-yl)-1-methylindazol-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(2-oxoimidazolidin-1-yl)indazol-5-yl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 157439771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).