butyl 3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: butyl 3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: butyl 8-oxo-3-(p-tolylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid butyl ester IUPAC Name: butyl 3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-tosyloxy-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid butyl ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CCC2N1C(=O)C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=C(CCC2N1C(=O)C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H23NO6S/c1-3-4-11-25-19(22)18-16(10-7-14-12-17(21)20(14)18)26-27(23,24)15-8-5-13(2)6-9-15/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3