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

Systemtic Name: 3-[2-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25N3O5S/c1-18(28(34)32-21-11-7-10-20(14-21)30(35)36)39-29-25(17-31)23(16-26(33-29)19-8-5-4-6-9-19)24-15-22(37-2)12-13-27(24)38-3/h4-16,18H,1-3H3,(H,32,34)(H,35,36)