7-formamido-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-formamido-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-formamido-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-formamido-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-formamido-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-formamido-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H8N2O4S2 MolecularWeight: 272.30082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)(C=S)NC=O)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)(C=S)NC=O)C(=O)O

InChI

InChI=1S/C9H8N2O4S2/c12-4-10-9(3-16)7(15)11-5(6(13)14)1-2-17-8(9)11/h1,3-4,8H,2H2,(H,10,12)(H,13,14)