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3-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylpropanoic acid

3-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylpropanoic acid

Systemtic Name:3-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylpropanoic acid
Openeye Name:3-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylpropanoic acid
CAS Name:3-[[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]propanoic acid
IUPAC Name:3-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylpropanoic acid
Traditional Name:3-[[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]propionic acid
Formula: C18H22N2O4S
MolecularWeight: 362.44328
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)SCCC(=O)O)OCC


Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)SCCC(=O)O)OCC


InChI

InChI=1S/C18H22N2O4S/c1-3-23-14-9-12-5-7-20-18(13(12)10-15(14)24-4-2)16(11-19)25-8-6-17(21)22/h9-10,16H,3-8H2,1-2H3,(H,21,22)


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