2-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-[(phenylthio)methyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-dimethoxy-2-o-veratryl-1-[(phenylthio)methyl]-1,4-dihydroisoquinolin-3-one Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C(C3=CC(=C(C=C3CC2=O)OC)OC)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C(C3=CC(=C(C=C3CC2=O)OC)OC)CSC4=CC=CC=C4

InChI

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