7-azanyl-3-[(6-methyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(6-methyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(6-methyl-1-oxido-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(6-methyl-1-oxido-3-pyridazin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(6-methyl-1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(6-methyl-1-oxido-pyridazin-1-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)[O-]

Isomeric SMILES

CC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O)[O-]

InChI

InChI=1S/C13H14N4O4S2/c1-6-2-3-8(15-17(6)21)22-4-7-5-23-12-9(14)11(18)16(12)10(7)13(19)20/h2-3,9,12H,4-5,14H2,1H3,(H,19,20)