4-[2-[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-4-(p-tolyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-4-(p-tolyl)-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C31H27N3O4S/c1-4-28(29(35)33-23-13-9-22(10-14-23)31(36)37)39-30-26(18-32)25(20-7-5-19(2)6-8-20)17-27(34-30)21-11-15-24(38-3)16-12-21/h5-17,28H,4H2,1-3H3,(H,33,35)(H,36,37)