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

Systemtic Name: methyl 9b-methylsulfanyl-2-oxidanylidene-1-phenylmethoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Openeye Name: methyl 1-benzyloxy-9b-methylsulfanyl-2-oxo-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate CAS Name: 9b-(methylthio)-2-oxo-1-phenylmethoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 9b-methylsulfanyl-2-oxo-1-phenylmethoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Traditional Name: 1-benzoxy-2-keto-9b-(methylthio)-4,5-dihydro-1H-azet[2,1-a]isoquinoline-4-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3OCC4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3OCC4=CC=CC=C4)SC

InChI

InChI=1S/C21H21NO4S/c1-25-20(24)17-12-15-10-6-7-11-16(15)21(27-2)18(19(23)22(17)21)26-13-14-8-4-3-5-9-14/h3-11,17-18H,12-13H2,1-2H3