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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[[5-(4-oxidanyl-4-oxidanylidene-butyl)-2H-1,2,3-triazol-4-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[5-(4-hydroxy-4-oxo-butyl)-2H-triazol-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[5-(4-hydroxy-4-oxobutyl)-2H-triazol-4-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[5-(4-hydroxy-4-oxobutyl)-2H-triazol-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[[5-(4-hydroxy-4-keto-butyl)-2H-triazol-4-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=NNN=C3CCCC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=NNN=C3CCCC(=O)O

InChI

InChI=1S/C14H17N5O5S2/c15-9-12(22)19-10(14(23)24)6(5-26-13(9)19)4-25-11-7(16-18-17-11)2-1-3-8(20)21/h9,13H,1-5,15H2,(H,20,21)(H,23,24)(H,16,17,18)