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

Systemtic Name: 1-(5-bromanylpentyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(5-bromopentyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(5-bromopentyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(5-bromopentyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(5-bromopentyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C23H28BrFO2S MolecularWeight: 467.434623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrFO2S/c1-26-21-15-17-7-6-14-28-23(12-4-3-5-13-24,20(17)16-22(21)27-2)18-8-10-19(25)11-9-18/h8-11,15-16H,3-7,12-14H2,1-2H3