tert-butyl 4-oxidanylidene-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylate Openeye Name: tert-butyl 4-oxo-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylate CAS Name: 4-oxo-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylate Traditional Name: 4-keto-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-5-carboxylic acid tert-butyl ester Formula: C21H20F3NO3S MolecularWeight: 423.44861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)CCSC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)CCSC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO3S/c1-20(2,3)28-19(27)25-16-9-6-14(12-17(16)29-11-10-18(25)26)13-4-7-15(8-5-13)21(22,23)24/h4-9,12H,10-11H2,1-3H3