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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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