(8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-methylbenzenesulfonate Openeye Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) ester IUPAC Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN3C(CC3=O)SC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN3C(CC3=O)SC2

InChI

InChI=1S/C13H13NO4S2/c1-9-2-4-11(5-3-9)20(16,17)18-10-7-14-12(15)6-13(14)19-8-10/h2-5,7,13H,6,8H2,1H3