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

Systemtic Name: 7-methoxy-3-[(6-methyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-[(6-methyl-1-oxido-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-[[(6-methyl-1-oxido-3-pyridazin-1-iumyl)thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-3-[(6-methyl-1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-[[(6-methyl-1-oxido-pyridazin-1-ium-3-yl)thio]methyl]-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N4O7S4 MolecularWeight: 556.6554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)(NC(=O)CS(=O)C4=CC=CS4)OC)SC2)C(=O)O)[O-]

Isomeric SMILES

CC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)(NC(=O)CS(=O)C4=CC=CS4)OC)SC2)C(=O)O)[O-]

InChI

InChI=1S/C20H20N4O7S4/c1-11-5-6-14(22-24(11)29)33-8-12-9-34-19-20(31-2,18(28)23(19)16(12)17(26)27)21-13(25)10-35(30)15-4-3-7-32-15/h3-7,19H,8-10H2,1-2H3,(H,21,25)(H,26,27)