ethyl (4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)methylsulfanylmethanoate

Systemtic Name: ethyl (4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)methylsulfanylmethanoate Openeye Name: ethyl [4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]methylsulfanylformate CAS Name: [[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]methylthio]formic acid ethyl ester IUPAC Name: ethyl (4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)methylsulfanylformate Traditional Name: [(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-3-yl)methylthio]formic acid ethyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

CCOC(=O)SCC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C19H25N3O2S/c1-2-24-19(23)25-13-17-16(12-20)14-8-4-5-9-15(14)18(21-17)22-10-6-3-7-11-22/h2-11,13H2,1H3