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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3,5-diphenyl-indol-2-yl]-2-sulfanylidene-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3,5-diphenyl-indol-2-yl]-2-thioxo-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3,5-diphenyl-2-indolyl]-2-sulfanylidenepropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3,5-diphenylindol-2-yl]-2-sulfanylidenepropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-4,6-dimethyl-3,5-diphenyl-indol-2-yl]-2-thioxo-propionic acid Formula: C32H26ClNO2S MolecularWeight: 524.07234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26ClNO2S/c1-20-17-26-30(21(2)29(20)23-9-5-3-6-10-23)31(24-11-7-4-8-12-24)27(18-28(37)32(35)36)34(26)19-22-13-15-25(33)16-14-22/h3-17H,18-19H2,1-2H3,(H,35,36)