[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C19H18F2N2O4S MolecularWeight: 408.419026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F2N2O4S/c1-11(2)16(25)23-13-7-5-12(6-8-13)15(24)10-27-18(26)14-4-3-9-22-17(14)28-19(20)21/h3-9,11,19H,10H2,1-2H3,(H,23,25)