[2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-ethyl] ester Formula: C21H15F2NO4S MolecularWeight: 415.409906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H15F2NO4S/c22-21(23)28-15-10-8-14(9-11-15)18(25)13-27-20(26)17-7-4-12-24-19(17)29-16-5-2-1-3-6-16/h1-12,21H,13H2