[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-8(2)14-10(15)7-17-12(16)9-5-4-6-13-11(9)18-3/h4-6,8H,7H2,1-3H3,(H,14,15)