1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

InChI

InChI=1S/C23H25N3O6S/c1-28-17-6-5-15(10-18(17)29-2)22-24-25-23(32-22)33-13-21(27)26-8-7-14-9-19(30-3)20(31-4)11-16(14)12-26/h5-6,9-11H,7-8,12-13H2,1-4H3