(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C15H12F2N2O3S MolecularWeight: 338.329186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C15H12F2N2O3S/c16-15(17)23-13-10(7-4-8-19-13)14(21)22-11(12(18)20)9-5-2-1-3-6-9/h1-8,11,15H,(H2,18,20)