pyrimidin-4-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: pyrimidin-4-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: pyrimidin-4-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-pyrimidinylmethylthio) ester IUPAC Name: pyrimidin-4-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-pyrimidylmethylthio) ester Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=NC=NC=C3

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=NC=NC=C3

InChI

InChI=1S/C12H11N3O3S2/c16-10-5-11-15(10)9(2-4-19-11)12(17)18-20-6-8-1-3-13-7-14-8/h1-3,7,11H,4-6H2