[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H16N2O4S/c1-21-12-6-3-5-11(9-12)18-14(19)10-22-16(20)13-7-4-8-17-15(13)23-2/h3-9H,10H2,1-2H3,(H,18,19)