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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11F2N3O3S MolecularWeight: 315.295846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC(F)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(N=C1)SC(F)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H11F2N3O3S/c13-12(14)21-10-8(3-1-5-17-10)11(19)20-7-9(18)16-6-2-4-15/h1,3,5,12H,2,6-7H2,(H,16,18)