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

Systemtic Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-[2-mesyl-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=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

InChI

InChI=1S/C18H16F3NO6S/c1-3-27-17(24)14-13(16(28-22-14)9-4-5-9)15(23)11-7-6-10(18(19,20)21)8-12(11)29(2,25)26/h6-9H,3-5H2,1-2H3