6-(1-hydroxyethyl)-7-oxidanylidene-3-([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(6-tetrazolo[1,5-b]pyridazinylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(tetrazolo[1,5-b]pyridazin-6-ylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H11N6O4S2- MolecularWeight: 379.39424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN4C(=NN=N4)C=C3)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN4C(=NN=N4)C=C3)C(=O)[O-])O

InChI

InChI=1S/C13H12N6O4S2/c1-5(20)9-11(21)18-10(13(22)23)6(25-12(9)18)4-24-8-3-2-7-14-16-17-19(7)15-8/h2-3,5,9,12,20H,4H2,1H3,(H,22,23)/p-1