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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-9(2)7-15-11(16)8-18-13(17)10-5-4-6-14-12(10)19-3/h4-6,9H,7-8H2,1-3H3,(H,15,16)