[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16F2N2O4S MolecularWeight: 394.392446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C18H16F2N2O4S/c1-10(23)12-5-3-6-13(9-12)22-15(24)11(2)26-17(25)14-7-4-8-21-16(14)27-18(19)20/h3-9,11,18H,1-2H3,(H,22,24)/t11-/m1/s1