2-(6,7-dimethoxy-8-methylsulfanyl-1,2,3,4,5-benzopentathiepin-9-yl)-N,N-dimethyl-ethanamine

Systemtic Name: 2-(6,7-dimethoxy-8-methylsulfanyl-1,2,3,4,5-benzopentathiepin-9-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(6,7-dimethoxy-8-methylsulfanyl-1,2,3,4,5-benzopentathiepin-9-yl)-N,N-dimethyl-ethanamine CAS Name: 2-[6,7-dimethoxy-8-(methylthio)-1,2,3,4,5-benzopentathiepin-9-yl]-N,N-dimethylethanamine IUPAC Name: 2-(6,7-dimethoxy-8-methylsulfanyl-1,2,3,4,5-benzopentathiepin-9-yl)-N,N-dimethylethanamine Traditional Name: 2-[6,7-dimethoxy-8-(methylthio)-1,2,3,4,5-benzopentathiepin-9-yl]ethyl-dimethyl-amine Formula: C13H19NO2S6 MolecularWeight: 413.68546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C2C(=C(C(=C1SC)OC)OC)SSSSS2

Isomeric SMILES

CN(C)CCC1=C2C(=C(C(=C1SC)OC)OC)SSSSS2

InChI

InChI=1S/C13H19NO2S6/c1-14(2)7-6-8-11(17-5)9(15-3)10(16-4)13-12(8)18-20-22-21-19-13/h6-7H2,1-5H3