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

Systemtic Name: 4-[2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C32H29N3O6S MolecularWeight: 583.65416

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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=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CCC(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/C32H29N3O6S/c1-5-28(30(36)34-22-13-11-20(12-14-22)32(37)38)42-31-24(18-33)23(17-25(35-31)19-9-7-6-8-10-19)21-15-26(39-2)29(41-4)27(16-21)40-3/h6-17,28H,5H2,1-4H3,(H,34,36)(H,37,38)