3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-3-phenylsulfanyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-3-phenylsulfanyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-3-(phenylthio)-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-3-phenylsulfanylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-4,6-dimethyl-5-phenyl-3-(phenylthio)indol-2-yl]propionic acid Formula: C32H28ClNO2S MolecularWeight: 526.08822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C3=CC=CC=C3)C)C(=C(N2CC4=CC=C(C=C4)Cl)CCC(=O)O)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C1C3=CC=CC=C3)C)C(=C(N2CC4=CC=C(C=C4)Cl)CCC(=O)O)SC5=CC=CC=C5

InChI

InChI=1S/C32H28ClNO2S/c1-21-19-28-31(22(2)30(21)24-9-5-3-6-10-24)32(37-26-11-7-4-8-12-26)27(17-18-29(35)36)34(28)20-23-13-15-25(33)16-14-23/h3-16,19H,17-18,20H2,1-2H3,(H,35,36)