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

Systemtic Name: 1-(6-chloranylhexan-3-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(4-chloro-1-ethyl-butyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(6-chlorohexan-3-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(6-chlorohexan-3-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(4-chloro-1-ethyl-butyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin Formula: C19H29ClO2S MolecularWeight: 356.95036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClO2S/c1-5-15(9-6-10-20)19(2)16-13-18(22-4)17(21-3)12-14(16)8-7-11-23-19/h12-13,15H,5-11H2,1-4H3