2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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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)