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

Systemtic Name: 2-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 2-[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid CAS Name: 2-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[2-(3-cyano-6-methylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 2-[2-[(3-cyano-6-methyl-2-pyridyl)thio]butanoylamino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-3-15(25-17-12(10-19)9-8-11(2)20-17)16(22)21-14-7-5-4-6-13(14)18(23)24/h4-9,15H,3H2,1-2H3,(H,21,22)(H,23,24)