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

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C17H16F2N2O3S MolecularWeight: 366.382346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O3S/c1-11(12-6-3-2-4-7-12)21-14(22)10-24-16(23)13-8-5-9-20-15(13)25-17(18)19/h2-9,11,17H,10H2,1H3,(H,21,22)