2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-[(phenylthio)methyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1-(phenylsulfanylmethyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 2-homoveratryl-5,6-dimethoxy-1-[(phenylthio)methyl]-1,4-dihydroisoquinolin-3-one Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=C(CC2=O)C(=C(C=C3)OC)OC)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C28H31NO5S/c1-31-24-12-10-19(16-26(24)33-3)14-15-29-23(18-35-20-8-6-5-7-9-20)21-11-13-25(32-2)28(34-4)22(21)17-27(29)30/h5-13,16,23H,14-15,17-18H2,1-4H3