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

Systemtic Name: 3-(1,3-oxazol-5-ylsulfanylmethyl)-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-hydroxy-3-(oxazol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-3-[(5-oxazolylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-3-(1,3-oxazol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-hydroxy-8-keto-3-[(oxazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H10N2O5S2 MolecularWeight: 314.3375

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=CN=CO3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=CN=CO3

InChI

InChI=1S/C11H10N2O5S2/c14-8-9(15)13-7(11(16)17)5(3-20-10(8)13)2-19-6-1-12-4-18-6/h1,4,8,10,14H,2-3H2,(H,16,17)