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

Systemtic Name: 1-(4-chloranylbutyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(4-chlorobutyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(4-chlorobutyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(4-chlorobutyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(4-chlorobutyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C22H26ClFO2S MolecularWeight: 408.957043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClFO2S/c1-25-20-14-16-6-5-13-27-22(11-3-4-12-23,19(16)15-21(20)26-2)17-7-9-18(24)10-8-17/h7-10,14-15H,3-6,11-13H2,1-2H3