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

Systemtic Name: methyl 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid methyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

COC(=O)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCC3

InChI

InChI=1S/C17H21N3O2S/c1-22-15(21)11-23-17-14(10-18)12-6-2-3-7-13(12)16(19-17)20-8-4-5-9-20/h2-9,11H2,1H3