[4-(trifluoromethyl)phenyl]carbonyl 5-(2-methylsulfonylcyclopropyl)-1,2-oxazole-3-carboxylate

Systemtic Name: [4-(trifluoromethyl)phenyl]carbonyl 5-(2-methylsulfonylcyclopropyl)-1,2-oxazole-3-carboxylate Openeye Name: [4-(trifluoromethyl)benzoyl] 5-(2-methylsulfonylcyclopropyl)isoxazole-3-carboxylate CAS Name: 5-(2-methylsulfonylcyclopropyl)-3-isoxazolecarboxylic acid [oxo-[4-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: [4-(trifluoromethyl)benzoyl] 5-(2-methylsulfonylcyclopropyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(2-mesylcyclopropyl)isoxazole-3-carboxylic acid [4-(trifluoromethyl)benzoyl] ester Formula: C16H12F3NO6S MolecularWeight: 403.32979

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC1C2=CC(=NO2)C(=O)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1CC1C2=CC(=NO2)C(=O)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3NO6S/c1-27(23,24)13-6-10(13)12-7-11(20-26-12)15(22)25-14(21)8-2-4-9(5-3-8)16(17,18)19/h2-5,7,10,13H,6H2,1H3