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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

InChI

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