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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-3-4-7-14-11(16)9-18-13(17)10-6-5-8-15-12(10)19-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16)