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

Systemtic Name: 7-(2-cyanoethanoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyanoacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyanoacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanoacetyl)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O

InChI

InChI=1S/C11H11N3O5S/c1-19-5-4-20-10-7(13-6(15)2-3-12)9(16)14(10)8(5)11(17)18/h7,10H,2,4H2,1H3,(H,13,15)(H,17,18)