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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-(2-propan-2-ylphenyl)sulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-(2-isopropylphenyl)sulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-[(2-propan-2-ylphenyl)thio]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-(2-propan-2-ylphenyl)sulfanylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-3-(o-cumenylthio)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C32H36ClNO2S MolecularWeight: 534.15174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3C(C)C)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3C(C)C)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H36ClNO2S/c1-20(2)23-13-16-27-26(17-23)30(37-29-10-8-7-9-25(29)21(3)4)28(18-32(5,6)31(35)36)34(27)19-22-11-14-24(33)15-12-22/h7-17,20-21H,18-19H2,1-6H3,(H,35,36)