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

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

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H27N3O6S/c1-38-26-15-21(16-27(39-2)29(26)40-3)23-17-25(19-8-5-4-6-9-19)34-30(24(23)18-32)41-13-12-28(35)33-22-11-7-10-20(14-22)31(36)37/h4-11,14-17H,12-13H2,1-3H3,(H,33,35)(H,36,37)