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

Systemtic Name: 1-(6-chloranylhexan-3-yl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(4-chloro-1-ethyl-butyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(6-chlorohexan-3-yl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(6-chlorohexan-3-yl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(4-chloro-1-ethyl-butyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin Formula: C18H27ClO2S MolecularWeight: 342.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCl)C1C2=CC(=C(C=C2CCCS1)OC)OC

Isomeric SMILES

CCC(CCCCl)C1C2=CC(=C(C=C2CCCS1)OC)OC

InChI

InChI=1S/C18H27ClO2S/c1-4-13(7-5-9-19)18-15-12-17(21-3)16(20-2)11-14(15)8-6-10-22-18/h11-13,18H,4-10H2,1-3H3