4-(3-chloranyl-4-fluoranyl-phenyl)-8-fluoranyl-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-8-fluoranyl-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-8-fluoro-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(3-chloro-4-fluorophenyl)-8-fluoro-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(3-chloro-4-fluorophenyl)-8-fluoro-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-8-fluoro-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C21H13ClF3NS MolecularWeight: 403.84783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C=C(NC3=C(S2)C=C(C=C3)F)C4=CC(=C(C=C4)F)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C2C=C(NC3=C(S2)C=C(C=C3)F)C4=CC(=C(C=C4)F)Cl)F

InChI

InChI=1S/C21H13ClF3NS/c22-16-9-13(3-7-17(16)25)19-11-20(12-1-4-14(23)5-2-12)27-21-10-15(24)6-8-18(21)26-19/h1-11,20,26H