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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-8-ethoxy-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-8-ethoxy-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(3-chloro-4-fluorophenyl)-8-ethoxy-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(3-chloro-4-fluorophenyl)-8-ethoxy-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-8-ethoxy-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C23H18ClF2NOS MolecularWeight: 429.909926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=CC(S2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=CC(S2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H18ClF2NOS/c1-2-28-17-8-10-20-23(12-17)29-22(14-3-6-16(25)7-4-14)13-21(27-20)15-5-9-19(26)18(24)11-15/h3-13,22,27H,2H2,1H3