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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H18N2O3S/c1-3-12-6-4-7-13(10-12)19-15(20)11-22-17(21)14-8-5-9-18-16(14)23-2/h4-10H,3,11H2,1-2H3,(H,19,20)