2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propanoic acid

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propanoic acid Openeye Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; propionic acid CAS Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; propanoic acid IUPAC Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; propanoic acid Traditional Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OCC

Isomeric SMILES

CCC(=O)O.CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OCC

InChI

InChI=1S/C15H18N2O2S.C3H6O2/c1-3-18-12-7-10-5-6-17-15(14(20)9-16)11(10)8-13(12)19-4-2;1-2-3(4)5/h7-8,14,20H,3-6H2,1-2H3;2H2,1H3,(H,4,5)