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

Systemtic Name: 2-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-10-6-7-11(8-17)15(18-10)23-9-14(20)19-13-5-3-2-4-12(13)16(21)22/h2-7H,9H2,1H3,(H,19,20)(H,21,22)