tert-butyl 7-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-triflyloxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C15H18F3NO5S2 MolecularWeight: 413.43233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO5S2/c1-14(2,3)23-13(20)19-6-7-25-12-5-4-11(8-10(12)9-19)24-26(21,22)15(16,17)18/h4-5,8H,6-7,9H2,1-3H3