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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(benzylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H23NO3S/c1-23-18-10-16-8-9-21(12-17(16)11-19(18)24-2)20(22)14-25-13-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-14H2,1-2H3