7-methylsulfanyl-8-oxidanylidene-7-pyrimidin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methylsulfanyl-8-oxidanylidene-7-pyrimidin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methylsulfanyl-8-oxo-7-pyrimidin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(methylthio)-8-oxo-7-(4-pyrimidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methylsulfanyl-8-oxo-7-pyrimidin-4-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(methylthio)-7-(4-pyrimidyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C2N(C1=O)C(=CCS2)C(=O)O)C3=NC=NC=C3

Isomeric SMILES

CSC1(C2N(C1=O)C(=CCS2)C(=O)O)C3=NC=NC=C3

InChI

InChI=1S/C12H11N3O3S2/c1-19-12(8-2-4-13-6-14-8)10(18)15-7(9(16)17)3-5-20-11(12)15/h2-4,6,11H,5H2,1H3,(H,16,17)