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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(thiocyanatomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(thiocyanatomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(thiocyanatomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(thiocyanatomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(thiocyanatomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H9N3O3S2 MolecularWeight: 271.31606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC#N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC#N

InChI

InChI=1S/C9H9N3O3S2/c10-3-16-1-4-2-17-8-5(11)7(13)12(8)6(4)9(14)15/h5,8H,1-2,11H2,(H,14,15)