3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-7-methoxy-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-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-7-methoxy-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-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-7-methoxy-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-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-7-methoxy-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-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-7-methoxy-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: 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H27N8O8S2+ MolecularWeight: 631.66068

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C[N+]3=CC=C(C=C3)C(=O)N)C(=O)O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C[N+]3=CC=C(C=C3)C(=O)N)C(=O)O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O

InChI

InChI=1S/C25H26N8O8S2/c1-41-25(29-19(35)16(15-3-2-10-42-15)28-23(39)30-32-9-6-27-24(32)40)21(38)33-17(20(36)37)14(12-43-22(25)33)11-31-7-4-13(5-8-31)18(26)34/h2-5,7-8,10,16,22H,6,9,11-12H2,1H3,(H6-,26,27,28,29,30,34,35,36,37,39,40)/p+1