methyl 1-methylsulfanyl-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: methyl 1-methylsulfanyl-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: methyl 1-methylsulfanyl-3,4-dihydroisoquinoline-3-carboxylate CAS Name: 1-(methylthio)-3,4-dihydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfanyl-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: 1-(methylthio)-3,4-dihydroisoquinoline-3-carboxylic acid methyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C(=N1)SC

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C(=N1)SC

InChI

InChI=1S/C12H13NO2S/c1-15-12(14)10-7-8-5-3-4-6-9(8)11(13-10)16-2/h3-6,10H,7H2,1-2H3