butyl 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-sulfanyl-butanoate

Systemtic Name: butyl 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-sulfanyl-butanoate Openeye Name: butyl 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-sulfanyl-butanoate CAS Name: 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-mercaptobutanoic acid butyl ester IUPAC Name: butyl 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-sulfanylbutanoate Traditional Name: 4-cyano-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-mercapto-butyric acid butyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC(C#N)(C1=NCCC2=CC(=C(C=C21)OC)OC)S

Isomeric SMILES

CCCCOC(=O)CCC(C#N)(C1=NCCC2=CC(=C(C=C21)OC)OC)S

InChI

InChI=1S/C20H26N2O4S/c1-4-5-10-26-18(23)6-8-20(27,13-21)19-15-12-17(25-3)16(24-2)11-14(15)7-9-22-19/h11-12,27H,4-10H2,1-3H3