8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1,3-dioxobutoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoacetyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)O

InChI

InChI=1S/C12H13NO6S/c1-6(14)2-10(16)19-4-7-5-20-9-3-8(15)13(9)11(7)12(17)18/h9H,2-5H2,1H3,(H,17,18)