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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (2-amino-2-keto-ethyl) ester Formula: C9H8F2N2O3S MolecularWeight: 262.233226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8F2N2O3S/c10-9(11)17-7-5(2-1-3-13-7)8(15)16-4-6(12)14/h1-3,9H,4H2,(H2,12,14)