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

Systemtic Name: 7-azanyl-8-oxidanylidene-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-4-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-4-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-4-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-4-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H11N5O3S2 MolecularWeight: 313.35604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N2C(C(C2=O)N)SC1CSC3=NNN=C3)C(=O)O

Isomeric SMILES

C1=C(N2C(C(C2=O)N)SC1CSC3=NNN=C3)C(=O)O

InChI

InChI=1S/C10H11N5O3S2/c11-7-8(16)15-5(10(17)18)1-4(20-9(7)15)3-19-6-2-12-14-13-6/h1-2,4,7,9H,3,11H2,(H,17,18)(H,12,13,14)