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2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoic acid
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C2CCCCC2=C(C(=N1)SCC(=O)O)C#N
Isomeric SMILES
CC1=C2CCCCC2=C(C(=N1)SCC(=O)O)C#N
InChI
InChI=1S/C13H14N2O2S/c1-8-9-4-2-3-5-10(9)11(6-14)13(15-8)18-7-12(16)17/h2-5,7H2,1H3,(H,16,17)
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