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

Systemtic Name: methyl 2-[[4-cyano-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-cyano-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyano-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-cyano-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyano-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetic acid methyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3CCCCC3=C(C(=N2)SCC(=O)OC)C#N

InChI

InChI=1S/C20H20N2O2S/c1-13-6-5-7-14(10-13)19-16-9-4-3-8-15(16)17(11-21)20(22-19)25-12-18(23)24-2/h5-7,10H,3-4,8-9,12H2,1-2H3