[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: [4-fluoranyl-2-(trifluoromethyl)phenyl]methyl 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: [4-fluoro-2-(trifluoromethyl)phenyl]methyl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid [4-fluoro-2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]methyl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid [4-fluoro-2-(trifluoromethyl)benzyl] ester Formula: C20H18F4O5S2 MolecularWeight: 478.477533

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OCC3=C(C=C(C=C3)F)C(F)(F)F)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OCC3=C(C=C(C=C3)F)C(F)(F)F)C

InChI

InChI=1S/C20H18F4O5S2/c1-19(2)7-12-15(14(25)8-19)18(31(3,27)28)30-16(12)17(26)29-9-10-4-5-11(21)6-13(10)20(22,23)24/h4-6H,7-9H2,1-3H3