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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-10(5-2)16-12(17)9-19-14(18)11-7-6-8-15-13(11)20-3/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)