[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-8(2)15-13(19)16-10(17)7-20-12(18)9-5-4-6-14-11(9)21-3/h4-6,8H,7H2,1-3H3,(H2,15,16,17,19)