2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-phenylsulfanyl-indol-2-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-3-(phenylthio)-5-propan-2-yl-2-indolyl]acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzyl)-5-isopropyl-3-(phenylthio)indol-2-yl]acetic acid Formula: C26H24ClNO2S MolecularWeight: 449.99226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClNO2S/c1-17(2)19-10-13-23-22(14-19)26(31-21-6-4-3-5-7-21)24(15-25(29)30)28(23)16-18-8-11-20(27)12-9-18/h3-14,17H,15-16H2,1-2H3,(H,29,30)