[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C11H11F2N3O4S MolecularWeight: 319.284546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F2N3O4S/c1-14-11(19)16-7(17)5-20-9(18)6-3-2-4-15-8(6)21-10(12)13/h2-4,10H,5H2,1H3,(H2,14,16,17,19)