sodium 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 7-oxo-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 7-oxo-3-(2-pyrimidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 7-oxo-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 7-keto-3-(2-pyrimidylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C10H6N3NaO3S2 MolecularWeight: 303.29271

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)SC3=NC=CC=N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)SC3=NC=CC=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H7N3O3S2.Na/c14-5-4-6-13(5)7(8(15)16)9(17-6)18-10-11-2-1-3-12-10;/h1-3,6H,4H2,(H,15,16);/q;+1/p-1