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

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-keto-ethyl] ester Formula: C22H17F2NO5S MolecularWeight: 445.435886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC(F)F

InChI

InChI=1S/C22H17F2NO5S/c1-28-19-12-14(9-10-18(19)30-22(23)24)17(26)13-29-21(27)16-8-5-11-25-20(16)31-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3