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

Systemtic Name: 8-oxidanylidene-3-(propanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(propanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-(1-oxopropoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(propanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-(propionyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-2-9(14)17-4-6-5-18-8-3-7(13)12(8)10(6)11(15)16/h8H,2-5H2,1H3,(H,15,16)