ethyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: ethyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: ethyl 5-(isobutylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-[(2-methylpropylamino)-oxomethyl]-2-(trifluoromethylsulfonyloxy)benzoic acid ethyl ester IUPAC Name: ethyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-(isobutylcarbamoyl)-2-triflyloxy-benzoic acid ethyl ester Formula: C15H18F3NO6S MolecularWeight: 397.36673

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO6S/c1-4-24-14(21)11-7-10(13(20)19-8-9(2)3)5-6-12(11)25-26(22,23)15(16,17)18/h5-7,9H,4,8H2,1-3H3,(H,19,20)