(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methylthio)phenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methylthio)phenyl]methanone Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)SC)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)SC)OCC

InChI

InChI=1S/C21H25NO3S/c1-4-24-19-12-16-10-11-22(14-17(16)13-20(19)25-5-2)21(23)15-6-8-18(26-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3