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

Systemtic Name: 2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C30H25N3O4S/c1-3-27(28(34)32-25-12-8-7-11-22(25)30(35)36)38-29-24(18-31)23(19-13-15-21(37-2)16-14-19)17-26(33-29)20-9-5-4-6-10-20/h4-17,27H,3H2,1-2H3,(H,32,34)(H,35,36)