3-[3-but-3-enylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-but-3-enylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-but-3-enylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(but-3-enylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-but-3-enylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(but-3-enylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C27H32ClNO2S MolecularWeight: 470.06648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SCCC=C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SCCC=C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H32ClNO2S/c1-6-7-14-32-25-22-15-20(18(2)3)10-13-23(22)29(17-19-8-11-21(28)12-9-19)24(25)16-27(4,5)26(30)31/h6,8-13,15,18H,1,7,14,16-17H2,2-5H3,(H,30,31)