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

Systemtic Name: 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-3-21(22(28)26-18-9-4-16(5-10-18)24(29)30)32-23-17(14-25)8-13-20(27-23)15-6-11-19(31-2)12-7-15/h4-13,21H,3H2,1-2H3,(H,26,28)(H,29,30)