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

Systemtic Name: 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C17H15N3O3S/c1-10-7-11(2)19-16(13(10)8-18)24-9-15(21)20-14-6-4-3-5-12(14)17(22)23/h3-7H,9H2,1-2H3,(H,20,21)(H,22,23)