methyl 9b-methylsulfanyl-2-oxidanylidene-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate

Systemtic Name: methyl 9b-methylsulfanyl-2-oxidanylidene-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Openeye Name: methyl 9b-methylsulfanyl-2-oxo-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate CAS Name: 9b-(methylthio)-2-oxo-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 9b-methylsulfanyl-2-oxo-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Traditional Name: 2-keto-9b-(methylthio)-1-phenoxy-4,5-dihydro-1H-azet[2,1-a]isoquinoline-4-carboxylic acid methyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3OC4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3OC4=CC=CC=C4)SC

InChI

InChI=1S/C20H19NO4S/c1-24-19(23)16-12-13-8-6-7-11-15(13)20(26-2)17(18(22)21(16)20)25-14-9-4-3-5-10-14/h3-11,16-17H,12H2,1-2H3