1-(3-chloranylpropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine

Systemtic Name: 1-(3-chloranylpropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(3-chloropropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(3-chloropropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(3-chloropropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(3-chloropropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C21H24ClFO2S MolecularWeight: 394.930463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCCSC2(CCCCl)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCCSC2(CCCCl)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H24ClFO2S/c1-24-19-13-15-5-3-12-26-21(10-4-11-22,18(15)14-20(19)25-2)16-6-8-17(23)9-7-16/h6-9,13-14H,3-5,10-12H2,1-2H3