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

Systemtic Name: ethyl 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid ethyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C

InChI

InChI=1S/C15H18N2O2S/c1-3-19-14(18)9-20-15-13(8-16)12-7-5-4-6-11(12)10(2)17-15/h3-7,9H2,1-2H3