2-(3,4-dimethoxyphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)OC

InChI

InChI=1S/C25H27NO5S/c1-28-19-8-7-16(12-20(19)29-2)13-24(27)26-10-9-17-14-21(30-3)22(31-4)15-18(17)25(26)23-6-5-11-32-23/h5-8,11-12,14-15,25H,9-10,13H2,1-4H3