2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; 3-ethyloxetan-2-one; methane

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; 3-ethyloxetan-2-one; methane Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; 3-ethyloxetan-2-one; methane CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; 3-ethyl-2-oxetanone; methane IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; 3-ethyloxetan-2-one; methane Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; 3-ethyloxetan-2-one; methane Formula: C19H26N2O4S MolecularWeight: 378.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCC1COC1=O.COC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OC

Isomeric SMILES

C.CCC1COC1=O.COC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OC

InChI

InChI=1S/C13H14N2O2S.C5H8O2.CH4/c1-16-10-5-8-3-4-15-13(12(18)7-14)9(8)6-11(10)17-2;1-2-4-3-7-5(4)6;/h5-6,12,18H,3-4H2,1-2H3;4H,2-3H2,1H3;1H4