2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-10-5-6-11(2)13(8-10)18-14(19)9-22-15-12(16(20)21)4-3-7-17-15/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)