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

Systemtic Name: butyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoate Openeye Name: butyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoate CAS Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercaptopropanoic acid butyl ester IUPAC Name: butyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanylpropanoate Traditional Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercapto-propionic acid butyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-4-5-8-25-17(22)11-19(26,12-20)18-14-10-16(24-3)15(23-2)9-13(14)6-7-21-18/h9-10,26H,4-8,11H2,1-3H3