3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[oxo-[(2-oxo-1-imidazolidinyl)amino]methyl]amino]-2-thiophen-2-ylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-ylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H23N7O7S3 MolecularWeight: 605.66642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CS2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=CC=CC=[N+]5[O-])C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CS2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=CC=CC=[N+]5[O-])C(=O)O

InChI

InChI=1S/C23H23N7O7S3/c31-18(15(13-4-3-9-38-13)26-22(35)27-28-8-6-24-23(28)36)25-16-19(32)30-17(21(33)34)12(11-40-20(16)30)10-39-14-5-1-2-7-29(14)37/h1-5,7,9,15-16,20H,6,8,10-11H2,(H,24,36)(H,25,31)(H,33,34)(H2,26,27,35)