(6E)-6-[(1-methylpyrazol-4-yl)methylidene]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (6E)-6-[(1-methylpyrazol-4-yl)methylidene]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (6E)-6-[(1-methylpyrazol-4-yl)methylene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (6E)-6-[(1-methyl-4-pyrazolyl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (6E)-6-[(1-methylpyrazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (6E)-7-keto-6-[(1-methylpyrazol-4-yl)methylene]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H8N3O3S- MolecularWeight: 262.26452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2C3N(C2=O)C(=CS3)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=C\2/C3N(C2=O)C(=CS3)C(=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c1-13-4-6(3-12-13)2-7-9(15)14-8(11(16)17)5-18-10(7)14/h2-5,10H,1H3,(H,16,17)/p-1/b7-2+