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

Systemtic Name: 3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butanoylamino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-4-16(26-18-15(10-20)11(2)8-12(3)21-18)17(23)22-14-7-5-6-13(9-14)19(24)25/h5-9,16H,4H2,1-3H3,(H,22,23)(H,24,25)