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2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate
2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)[O-])C#N
Isomeric SMILES
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)[O-])C#N
InChI
InChI=1S/C14H16N2O2S/c1-2-12-10-6-4-3-5-9(10)11(7-15)14(16-12)19-8-13(17)18/h2-6,8H2,1H3,(H,17,18)/p-1
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