1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-pyridylthio)ethanone Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CSC4=CC=CC=N4)OCC)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CSC4=CC=CC=N4)OCC)OCC)OCC

InChI

InChI=1S/C31H38N2O5S/c1-5-35-26-13-12-22(18-27(26)36-6-2)17-25-24-20-29(38-8-4)28(37-7-3)19-23(24)14-16-33(25)31(34)21-39-30-11-9-10-15-32-30/h9-13,15,18-20,25H,5-8,14,16-17,21H2,1-4H3