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

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-ethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethoxyphenyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-ethoxyphenyl)sulfanylethanone Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(p-phenetylthio)ethanone Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

InChI

InChI=1S/C25H27NO4S2/c1-4-30-18-7-9-19(10-8-18)32-16-24(27)26-12-11-17-14-21(28-2)22(29-3)15-20(17)25(26)23-6-5-13-31-23/h5-10,13-15,25H,4,11-12,16H2,1-3H3