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

Systemtic Name: 7-(2-methylsulfonylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-methylsulfonylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-methylsulfonyl-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylsulfonylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-mesylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S2/c1-20(17,18)4-6(13)11-7-8(14)12-5(10(15)16)2-3-19-9(7)12/h2,7,9H,3-4H2,1H3,(H,11,13)(H,15,16)