7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H8N3O3S- MolecularWeight: 262.26452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=NC=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=NC=CC=N3)C(=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c15-8-5-6-4-7(9(10(16)17)14(6)8)18-11-12-2-1-3-13-11/h1-3,6H,4-5H2,(H,16,17)/p-1