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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C12H14F2N2O3S MolecularWeight: 304.312966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F2N2O3S/c1-7(2)16-9(17)6-19-11(18)8-4-3-5-15-10(8)20-12(13)14/h3-5,7,12H,6H2,1-2H3,(H,16,17)