2-[2-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(4-methylbenzoyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[[(4-methylphenyl)-oxomethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(4-methylbenzoyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(p-toluoylamino)ethyl]thio]nicotinic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H14N2O4S/c1-10-4-6-11(7-5-10)14(20)18-13(19)9-23-15-12(16(21)22)3-2-8-17-15/h2-8H,9H2,1H3,(H,21,22)(H,18,19,20)