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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-6-10(2)16-12(17)9-19-14(18)11-7-5-8-15-13(11)20-3/h5,7-8,10H,4,6,9H2,1-3H3,(H,16,17)