7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate

Systemtic Name: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate Openeye Name: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate CAS Name: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate IUPAC Name: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate Traditional Name: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine-3-carboxylate Formula: C11H9F3NO2S- MolecularWeight: 276.25487

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC2=C(N1)C=CC(=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1C(SCC2=C(N1)C=CC(=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C11H10F3NO2S/c12-11(13,14)7-1-2-8-6(3-7)5-18-9(4-15-8)10(16)17/h1-3,9,15H,4-5H2,(H,16,17)/p-1