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

Systemtic Name: 4-[3-[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-[[3-cyano-6-(4-methoxyphenyl)-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[[3-cyano-6-(4-methoxyphenyl)-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H25N3O4S/c1-19-3-5-20(6-4-19)25-17-27(21-9-13-24(37-2)14-10-21)33-29(26(25)18-31)38-16-15-28(34)32-23-11-7-22(8-12-23)30(35)36/h3-14,17H,15-16H2,1-2H3,(H,32,34)(H,35,36)