7-(2-methylsulfonylethanoylamino)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-methylsulfonylethanoylamino)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-methylsulfonylacetyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-methylsulfonyl-1-oxoethyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylsulfonylacetyl)amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-mesylacetyl)amino]-4-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)NC1C2CSC=C(N2C1=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC(=O)NC1C2CSC=C(N2C1=O)C(=O)O

InChI

InChI=1S/C10H12N2O6S2/c1-20(17,18)4-7(13)11-8-5-2-19-3-6(10(15)16)12(5)9(8)14/h3,5,8H,2,4H2,1H3,(H,11,13)(H,15,16)