2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-oxidanyl-2-sulfanyl-butanenitrile

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-oxidanyl-2-sulfanyl-butanenitrile Openeye Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-hydroxy-2-sulfanyl-butanenitrile CAS Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-hydroxy-2-mercaptobutanenitrile IUPAC Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-hydroxy-2-sulfanylbutanenitrile Traditional Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-4-hydroxy-2-mercapto-butyronitrile Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN=C2C(CCO)(C#N)S)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN=C2C(CCO)(C#N)S)OCC

InChI

InChI=1S/C17H22N2O3S/c1-3-21-14-9-12-5-7-19-16(17(23,11-18)6-8-20)13(12)10-15(14)22-4-2/h9-10,20,23H,3-8H2,1-2H3