3-(acetyloxymethyl)-8-oxidanylidene-2-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-2-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Openeye Name: 3-(acetoxymethyl)-8-oxo-2-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid CAS Name: 3-(acetyloxymethyl)-2-mercapto-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-8-oxo-2-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-2-mercapto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Formula: C10H11NO5S2 MolecularWeight: 289.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(CC2=O)SC1C(=O)O)S

Isomeric SMILES

CC(=O)OCC1=C(N2C(CC2=O)SC1C(=O)O)S

InChI

InChI=1S/C10H11NO5S2/c1-4(12)16-3-5-8(10(14)15)18-7-2-6(13)11(7)9(5)17/h7-8,17H,2-3H2,1H3,(H,14,15)