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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-3-(phenylthio)-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 2-[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)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=C3)C(C)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClNO2S/c1-17(2)20-11-14-24-23(15-20)26(32-22-7-5-4-6-8-22)25(18(3)27(30)31)29(24)16-19-9-12-21(28)13-10-19/h4-15,17-18H,16H2,1-3H3,(H,30,31)