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

Systemtic Name: 7-(cyanomethyl)-3-(methylcarbamoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(cyanomethyl)-3-(methylcarbamoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(cyanomethyl)-3-(methylcarbamoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(cyanomethyl)-3-(methylcarbamoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(cyanomethyl)-8-keto-3-(methylcarbamoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N2C(C(C2=O)CC#N)SC1)C(=O)O

Isomeric SMILES

CNC(=O)C1=C(N2C(C(C2=O)CC#N)SC1)C(=O)O

InChI

InChI=1S/C11H11N3O4S/c1-13-8(15)6-4-19-10-5(2-3-12)9(16)14(10)7(6)11(17)18/h5,10H,2,4H2,1H3,(H,13,15)(H,17,18)