tert-butyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-acetamido-3-(4-triflyloxyphenyl)propionic acid tert-butyl ester Formula: C16H20F3NO6S MolecularWeight: 411.39331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H20F3NO6S/c1-10(21)20-13(14(22)25-15(2,3)4)9-11-5-7-12(8-6-11)26-27(23,24)16(17,18)19/h5-8,13H,9H2,1-4H3,(H,20,21)