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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(propylamino)ethyl] ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-3-6-13-10(15)8-17-12(16)9-5-4-7-14-11(9)18-2/h4-5,7H,3,6,8H2,1-2H3,(H,13,15)