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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-methylsulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-methylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-(methylthio)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-methylsulfanyl-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-3-(methylthio)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C24H28ClNO2S MolecularWeight: 430.00262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClNO2S/c1-15(2)17-8-11-20-19(12-17)22(29-5)21(13-24(3,4)23(27)28)26(20)14-16-6-9-18(25)10-7-16/h6-12,15H,13-14H2,1-5H3,(H,27,28)