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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-(phenylthio)-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-3-(phenylthio)indol-2-yl]propionic acid Formula: C27H26ClNO2S MolecularWeight: 464.01884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClNO2S/c1-18(2)20-10-13-24-23(16-20)27(32-22-6-4-3-5-7-22)25(14-15-26(30)31)29(24)17-19-8-11-21(28)12-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,31)