methyl 5-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCCC3=C2C#N)N4CCCCC4

InChI

InChI=1S/C22H25N3O3S/c1-27-22(26)19-10-9-15(28-19)14-29-21-18(13-23)16-7-3-4-8-17(16)20(24-21)25-11-5-2-6-12-25/h9-10H,2-8,11-12,14H2,1H3