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

Systemtic Name: (2Z)-2-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-oxidanyl-3-piperidin-1-yl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[2-hydroxy-3-(1-piperidyl)propyl]sulfanyl-acetonitrile CAS Name: (2Z)-2-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(1-piperidinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-piperidin-1-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-piperidino-propyl)thio]acetonitrile Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCNC2=C(C#N)SCC(CN3CCCCC3)O)OCC

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SCC(CN3CCCCC3)O)OCC

InChI

InChI=1S/C23H33N3O3S/c1-3-28-20-12-17-8-9-25-23(19(17)13-21(20)29-4-2)22(14-24)30-16-18(27)15-26-10-6-5-7-11-26/h12-13,18,25,27H,3-11,15-16H2,1-2H3/b23-22-