ethyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-methyl-3-sulfanyl-propanoate

Systemtic Name: ethyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-methyl-3-sulfanyl-propanoate Openeye Name: ethyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-methyl-3-sulfanyl-propanoate CAS Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercapto-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-methyl-3-sulfanylpropanoate Traditional Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercapto-2-methyl-propionic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-5-24-17(21)11(2)18(25,10-19)16-13-9-15(23-4)14(22-3)8-12(13)6-7-20-16/h8-9,11,25H,5-7H2,1-4H3