7-oxidanyl-8-oxidanylidene-3-(pyrimidin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanyl-8-oxidanylidene-3-(pyrimidin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-hydroxy-8-oxo-3-(pyrimidin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-8-oxo-3-[(4-pyrimidinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-8-oxo-3-(pyrimidin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-hydroxy-8-keto-3-[(4-pyrimidylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=NC=NC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=NC=NC=C3

InChI

InChI=1S/C12H11N3O4S2/c16-9-10(17)15-8(12(18)19)6(4-21-11(9)15)3-20-7-1-2-13-5-14-7/h1-2,5,9,11,16H,3-4H2,(H,18,19)