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

Systemtic Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-pyrrolidin-1-yl-propyl)sulfanyl-acetonitrile CAS Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(1-pyrrolidinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-pyrrolidin-1-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-pyrrolidino-propyl)thio]acetonitrile Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=C(C#N)SCC(CN3CCCC3)O)OC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SCC(CN3CCCC3)O)OC

InChI

InChI=1S/C20H27N3O3S/c1-25-17-9-14-5-6-22-20(16(14)10-18(17)26-2)19(11-21)27-13-15(24)12-23-7-3-4-8-23/h9-10,15,22,24H,3-8,12-13H2,1-2H3/b20-19-