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

Systemtic Name: 2-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 2-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-[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=CC=C1C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

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

InChI

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