1-(4-chloranylbutan-2-yl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepine

Systemtic Name: 1-(4-chloranylbutan-2-yl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepine Openeye Name: 1-(3-chloro-1-methyl-propyl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepine CAS Name: 1-(4-chlorobutan-2-yl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepin IUPAC Name: 1-(4-chlorobutan-2-yl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepine Traditional Name: 1-(3-chloro-1-methyl-propyl)-7,8-dimethoxy-3,4,5,5a-tetrahydro-2-benzothiepin Formula: C16H23ClO2S MolecularWeight: 314.87062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)C1=C2C=C(C(=CC2CCCS1)OC)OC

Isomeric SMILES

CC(CCCl)C1=C2C=C(C(=CC2CCCS1)OC)OC

InChI

InChI=1S/C16H23ClO2S/c1-11(6-7-17)16-13-10-15(19-3)14(18-2)9-12(13)5-4-8-20-16/h9-12H,4-8H2,1-3H3