methyl 5-methylsulfonyl-4-(4-oxidanylidenepyridin-1-yl)-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 5-methylsulfonyl-4-(4-oxidanylidenepyridin-1-yl)-2-(trifluoromethyl)benzoate Openeye Name: methyl 5-methylsulfonyl-4-(4-oxo-1-pyridyl)-2-(trifluoromethyl)benzoate CAS Name: 5-methylsulfonyl-4-(4-oxo-1-pyridinyl)-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-(4-oxopyridin-1-yl)-2-(trifluoromethyl)benzoate Traditional Name: 4-(4-keto-1-pyridyl)-5-mesyl-2-(trifluoromethyl)benzoic acid methyl ester Formula: C15H12F3NO5S MolecularWeight: 375.31969

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(F)(F)F)N2C=CC(=O)C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(F)(F)F)N2C=CC(=O)C=C2)S(=O)(=O)C

InChI

InChI=1S/C15H12F3NO5S/c1-24-14(21)10-7-13(25(2,22)23)12(8-11(10)15(16,17)18)19-5-3-9(20)4-6-19/h3-8H,1-2H3