4-[2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C31H27N3O6S MolecularWeight: 569.62758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N3O6S/c1-18(29(35)33-22-12-10-20(11-13-22)31(36)37)41-30-24(17-32)23(16-25(34-30)19-8-6-5-7-9-19)21-14-26(38-2)28(40-4)27(15-21)39-3/h5-16,18H,1-4H3,(H,33,35)(H,36,37)