1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)C4SCCS4)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)C4SCCS4)OC)OC

InChI

InChI=1S/C23H27NO5S2/c1-26-19-11-16(23-30-8-9-31-23)4-5-18(19)29-14-22(25)24-7-6-15-10-20(27-2)21(28-3)12-17(15)13-24/h4-5,10-12,23H,6-9,13-14H2,1-3H3