7-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-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-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-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-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]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-[[2-[[(methoxymethylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]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-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-ylacetyl]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: 8-keto-7-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-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: C22H24N6O7S3 MolecularWeight: 580.65696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O7S3/c1-11-5-6-14(26-28(11)34)37-8-12-9-38-20-16(19(30)27(20)17(12)21(31)32)24-18(29)15(13-4-3-7-36-13)25-22(33)23-10-35-2/h3-7,15-16,20H,8-10H2,1-2H3,(H,24,29)(H,31,32)(H2,23,25,33)