7-acetamido-3-methylsulfanylcarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-acetamido-3-methylsulfanylcarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-acetamido-3-methylsulfanylcarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-acetamido-3-[(methylthio)-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-acetamido-3-methylsulfanylcarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-acetamido-8-keto-3-(methylthio)carbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H12N2O5S2 MolecularWeight: 316.35338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)C(=O)SC)C(=O)O

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)C(=O)SC)C(=O)O

InChI

InChI=1S/C11H12N2O5S2/c1-4(14)12-6-8(15)13-7(10(16)17)5(11(18)19-2)3-20-9(6)13/h6,9H,3H2,1-2H3,(H,12,14)(H,16,17)