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

Systemtic Name: 3-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(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)SCCC(=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11-8-12(2)20-17(15(11)10-19)25-7-6-16(22)21-14-5-3-4-13(9-14)18(23)24/h3-5,8-9H,6-7H2,1-2H3,(H,21,22)(H,23,24)