3-[(8-carboxy-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[(8-carboxy-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(8-carboxytetrazolo[1,5-b]pyridazin-6-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[(8-carboxy-6-tetrazolo[1,5-b]pyridazinyl)thio]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[(8-carboxytetrazolo[1,5-b]pyridazin-6-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[(8-carboxytetrazolo[1,5-b]pyridazin-6-yl)thio]methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H12N6O6S2 MolecularWeight: 424.41168

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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)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O6S2/c1-4(21)8-11(22)19-9(14(25)26)6(28-12(8)19)3-27-7-2-5(13(23)24)10-15-17-18-20(10)16-7/h2,4,8,12,21H,3H2,1H3,(H,23,24)(H,25,26)