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ethyl 2-[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylethanoate

ethyl 2-[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylethanoate

Systemtic Name:ethyl 2-[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylethanoate
Openeye Name:ethyl 2-[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylacetate
CAS Name:2-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]acetic acid ethyl ester
IUPAC Name:ethyl 2-[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylacetate
Traditional Name:2-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]acetic acid ethyl ester
Formula: C17H20N2O4S
MolecularWeight: 348.4167
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H20N2O4S/c1-4-23-16(20)10-24-15(9-18)17-12-8-14(22-3)13(21-2)7-11(12)5-6-19-17/h7-8,15H,4-6,10H2,1-3H3


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