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

Systemtic Name: 3-methyl-7-(2-methylsulfonylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-7-[(2-methylsulfonylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-7-[(2-methylsulfonyl-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-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]-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14N2O6S2 MolecularWeight: 334.36866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CS(=O)(=O)C)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CS(=O)(=O)C)SC1)C(=O)O

InChI

InChI=1S/C11H14N2O6S2/c1-5-3-20-10-7(12-6(14)4-21(2,18)19)9(15)13(10)8(5)11(16)17/h7,10H,3-4H2,1-2H3,(H,12,14)(H,16,17)