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

Systemtic Name: methyl 1-azido-9b-methylsulfanyl-2-oxidanylidene-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Openeye Name: methyl 1-azido-9b-methylsulfanyl-2-oxo-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate CAS Name: 1-azido-9b-(methylthio)-2-oxo-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 1-azido-9b-methylsulfanyl-2-oxo-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Traditional Name: 1-azido-2-keto-9b-(methylthio)-4,5-dihydro-1H-azet[2,1-a]isoquinoline-4-carboxylic acid methyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3N=[N+]=[N-])SC

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3N=[N+]=[N-])SC

InChI

InChI=1S/C14H14N4O3S/c1-21-13(20)10-7-8-5-3-4-6-9(8)14(22-2)11(16-17-15)12(19)18(10)14/h3-6,10-11H,7H2,1-2H3