tert-butyl 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylate

Systemtic Name: tert-butyl 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylate Openeye Name: tert-butyl 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylate CAS Name: 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylate Traditional Name: 8-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxylic acid tert-butyl ester Formula: C15H18F3NO2S MolecularWeight: 333.36913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSC2=C1C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCSC2=C1C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H18F3NO2S/c1-14(2,3)21-13(20)19-7-4-8-22-12-9-10(15(16,17)18)5-6-11(12)19/h5-6,9H,4,7-8H2,1-3H3