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

Systemtic Name: 8-oxidanylidene-7-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H10N4O3S2 MolecularWeight: 298.3414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O3S2/c15-8-5(4-19-7-3-11-13-12-7)9-14(8)6(10(16)17)1-2-18-9/h1,3,5,9H,2,4H2,(H,16,17)(H,11,12,13)