6,7-diethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline Formula: C20H25NO2S MolecularWeight: 343.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)SC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)SC)OCC

InChI

InChI=1S/C20H25NO2S/c1-4-22-18-12-15-10-11-21-20(17(15)13-19(18)23-5-2)14-6-8-16(24-3)9-7-14/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3