8-fluoranyl-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: 8-fluoranyl-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 8-fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 8-fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 8-fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 8-fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C16H11F2NO2S MolecularWeight: 319.325846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2NO2S/c17-10-3-1-9(2-4-10)13-8-15(16(20)21)22-14-7-11(18)5-6-12(14)19-13/h1-7,15H,8H2,(H,20,21)