1-(6-bromanyl-5-methyl-hexan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine

Systemtic Name: 1-(6-bromanyl-5-methyl-hexan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(5-bromo-1,4-dimethyl-pentyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(6-bromo-5-methylhexan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(6-bromo-5-methylhexan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(5-bromo-1,4-dimethyl-pentyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin Formula: C20H31BrO2S MolecularWeight: 415.42794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C)CBr

Isomeric SMILES

CC(CCC(C)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C)CBr

InChI

InChI=1S/C20H31BrO2S/c1-14(13-21)8-9-15(2)20(3)17-12-19(23-5)18(22-4)11-16(17)7-6-10-24-20/h11-12,14-15H,6-10,13H2,1-5H3