8-fluoranyl-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: 8-fluoranyl-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 8-fluoro-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 8-fluoro-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 8-fluoro-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 8-fluoro-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C17H11F4NO2S MolecularWeight: 369.333353

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=C(C=CC(=C2)F)N=C1C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(SC2=C(C=CC(=C2)F)N=C1C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H11F4NO2S/c18-11-4-5-12-14(7-11)25-15(16(23)24)8-13(22-12)9-2-1-3-10(6-9)17(19,20)21/h1-7,15H,8H2,(H,23,24)