8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-(3-oxobutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1,3-dioxobutylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-(3-oxobutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(acetoacetylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O

InChI

InChI=1S/C11H12N2O5S/c1-5(14)4-7(15)12-8-9(16)13-6(11(17)18)2-3-19-10(8)13/h2,8,10H,3-4H2,1H3,(H,12,15)(H,17,18)