1-(6-chloranylhexan-3-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine

Systemtic Name: 1-(6-chloranylhexan-3-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(4-chloro-1-ethyl-butyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(6-chlorohexan-3-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(6-chlorohexan-3-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(4-chloro-1-ethyl-butyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C24H30ClFO2S MolecularWeight: 437.010203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCl)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(CCCCl)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30ClFO2S/c1-4-18(8-5-13-25)24(19-9-11-20(26)12-10-19)21-16-23(28-3)22(27-2)15-17(21)7-6-14-29-24/h9-12,15-16,18H,4-8,13-14H2,1-3H3