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

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3S/c1-5-26-21-12-18-9-10-24(14-19(18)13-22(21)27-6-2)23(25)15-28-20-8-7-16(3)17(4)11-20/h7-8,11-13H,5-6,9-10,14-15H2,1-4H3