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

Systemtic Name: ethyl 5-(2-methylsulfonylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-(2-methylsulfonylcyclopropyl)-4-[4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylate CAS Name: 5-(2-methylsulfonylcyclopropyl)-4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylsulfonylcyclopropyl)-4-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-(2-mesylcyclopropyl)-4-[4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid ethyl ester Formula: C18H16F3NO6S MolecularWeight: 431.38295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3CC3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3CC3S(=O)(=O)C

InChI

InChI=1S/C18H16F3NO6S/c1-3-27-17(24)14-13(16(28-22-14)11-8-12(11)29(2,25)26)15(23)9-4-6-10(7-5-9)18(19,20)21/h4-7,11-12H,3,8H2,1-2H3