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

Systemtic Name: 7-(cyanomethylsulfanyl)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(cyanomethylsulfanyl)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(cyanomethylthio)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(cyanomethylsulfanyl)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(cyanomethylthio)-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H10N2O4S2 MolecularWeight: 286.3274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)SCC#N)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)SCC#N)SC1)C(=O)O

InChI

InChI=1S/C10H10N2O4S2/c1-16-5-4-18-9-7(17-3-2-11)8(13)12(9)6(5)10(14)15/h7,9H,3-4H2,1H3,(H,14,15)