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

Systemtic Name: 3-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-6-methyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c1-10-6-7-13(9-18)16(19-10)24-11(2)15(21)20-14-5-3-4-12(8-14)17(22)23/h3-8,11H,1-2H3,(H,20,21)(H,22,23)