1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methoxyphenyl)thio]ethanone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=C(C=C3)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=C(C=C3)OC)OCC

InChI

InChI=1S/C22H27NO4S/c1-4-26-20-12-16-10-11-23(14-17(16)13-21(20)27-5-2)22(24)15-28-19-8-6-18(25-3)7-9-19/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3