(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-ethanenitrile

Systemtic Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-morpholino-propyl)sulfanyl-acetonitrile CAS Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(4-morpholinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-morpholin-4-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-morpholino-propyl)thio]acetonitrile Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=C(C#N)SCC(CN3CCOCC3)O)OC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SCC(CN3CCOCC3)O)OC

InChI

InChI=1S/C20H27N3O4S/c1-25-17-9-14-3-4-22-20(16(14)10-18(17)26-2)19(11-21)28-13-15(24)12-23-5-7-27-8-6-23/h9-10,15,22,24H,3-8,12-13H2,1-2H3/b20-19-