[1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C23H22F2N2O4S MolecularWeight: 460.493586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H22F2N2O4S/c1-13-12-19(14(2)27(13)16-7-9-17(10-8-16)31-23(24)25)20(28)15(3)30-22(29)18-6-5-11-26-21(18)32-4/h5-12,15,23H,1-4H3