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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (2-benzamido-2-keto-ethyl) ester Formula: C16H12F2N2O4S MolecularWeight: 366.339286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C16H12F2N2O4S/c17-16(18)25-14-11(7-4-8-19-14)15(23)24-9-12(21)20-13(22)10-5-2-1-3-6-10/h1-8,16H,9H2,(H,20,21,22)