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

Systemtic Name: 5-cyclopropyl-4-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-4-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid CAS Name: 5-cyclopropyl-4-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-oxomethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-cyclopropyl-4-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-4-[4-mesyl-2-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid Formula: C16H12F3NO6S MolecularWeight: 403.32979

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)C(F)(F)F

InChI

InChI=1S/C16H12F3NO6S/c1-27(24,25)8-4-5-9(10(6-8)16(17,18)19)13(21)11-12(15(22)23)20-26-14(11)7-2-3-7/h4-7H,2-3H2,1H3,(H,22,23)