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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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