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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O3S/c18-17(19)25-15-13(7-4-9-21-15)16(23)24-11-14(22)20-10-8-12-5-2-1-3-6-12/h1-7,9,17H,8,10-11H2,(H,20,22)