[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC

InChI

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