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

Systemtic Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-2H-1,2-oxazole-5-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-2H-isoxazole-5-carboxylate CAS Name: 5-cyclopropyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-2H-isoxazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-2H-1,2-oxazole-5-carboxylate Traditional Name: 5-cyclopropyl-4-[2-mesyl-4-(trifluoromethyl)benzoyl]-3-isoxazoline-5-carboxylic acid ethyl ester Formula: C18H18F3NO6S MolecularWeight: 433.39883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=CNO1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

Isomeric SMILES

CCOC(=O)C1(C(=CNO1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

InChI

InChI=1S/C18H18F3NO6S/c1-3-27-16(24)17(10-4-5-10)13(9-22-28-17)15(23)12-7-6-11(18(19,20)21)8-14(12)29(2,25)26/h6-10,22H,3-5H2,1-2H3