1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 6,7-dimethoxy-4-(phenylthio)-1-veratryl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3C(CN2C=O)SC4=CC=CC=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3C(CN2C=O)SC4=CC=CC=C4)OC)OC)OC

InChI

InChI=1S/C27H29NO5S/c1-30-23-11-10-18(13-24(23)31-2)12-22-20-14-25(32-3)26(33-4)15-21(20)27(16-28(22)17-29)34-19-8-6-5-7-9-19/h5-11,13-15,17,22,27H,12,16H2,1-4H3