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

Systemtic Name: 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

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