(2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-(2-morpholin-4-ylethylsulfanyl)ethanenitrile

Systemtic Name: (2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-(2-morpholin-4-ylethylsulfanyl)ethanenitrile Openeye Name: (2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-(2-morpholinoethylsulfanyl)acetonitrile CAS Name: (2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-[2-(4-morpholinyl)ethylthio]acetonitrile IUPAC Name: (2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-(2-morpholin-4-ylethylsulfanyl)acetonitrile Traditional Name: (2Z)-2-(6-ethoxy-7-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-ylidene)-2-(2-morpholinoethylthio)acetonitrile Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(CNC2=C(C#N)SCCN3CCOCC3)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)C(CN/C2=C(/C#N)\SCCN3CCOCC3)(C)C)OC

InChI

InChI=1S/C22H31N3O3S/c1-5-28-19-13-17-16(12-18(19)26-4)21(24-15-22(17,2)3)20(14-23)29-11-8-25-6-9-27-10-7-25/h12-13,24H,5-11,15H2,1-4H3/b21-20-