[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-10(2)6-8-15-12(17)9-19-14(18)11-5-4-7-16-13(11)20-3/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,17)