7-[[6,7-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[[6,7-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[2-(2-benzylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[6,7-dimethoxy-2-[1-oxo-2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[2-(2-benzylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[[2-[2-(benzylthio)acetyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-coumarin Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=O)CSCC5=CC=CC=C5)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=O)CSCC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C31H31NO6S/c1-20-13-31(34)38-27-15-23(9-10-24(20)27)37-17-26-25-16-29(36-3)28(35-2)14-22(25)11-12-32(26)30(33)19-39-18-21-7-5-4-6-8-21/h4-10,13-16,26H,11-12,17-19H2,1-3H3