sodium 7-ethenyl-8-oxidanylidene-7-pyrimidin-5-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-ethenyl-8-oxidanylidene-7-pyrimidin-5-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 8-oxo-7-pyrimidin-5-yl-7-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-ethenyl-8-oxo-7-(5-pyrimidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-ethenyl-8-oxo-7-pyrimidin-5-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-7-(5-pyrimidyl)-7-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H10N3NaO3S MolecularWeight: 311.29157

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])C3=CN=CN=C3.[Na+]

Isomeric SMILES

C=CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])C3=CN=CN=C3.[Na+]

InChI

InChI=1S/C13H11N3O3S.Na/c1-2-13(8-5-14-7-15-6-8)11(19)16-9(10(17)18)3-4-20-12(13)16;/h2-3,5-7,12H,1,4H2,(H,17,18);/q;+1/p-1