6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(4-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-keto-2-(p-toluidino)ethyl]thio]nicotinic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-10-2-5-12(6-3-10)17-13(18)9-21-14-7-4-11(8-16-14)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)