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

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-4-7-14-11(16)9(2)18-13(17)10-6-5-8-15-12(10)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,14,16)