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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-mercaptoethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-mercapto-ethanone Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CS)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CS)OC

InChI

InChI=1S/C13H17NO3S/c1-16-11-5-9-3-4-14(13(15)8-18)7-10(9)6-12(11)17-2/h5-6,18H,3-4,7-8H2,1-2H3