7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(2-pyrrolo[1,2-a]pyrazin-2-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N8O5S2+ MolecularWeight: 515.54546

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=CC=CN5C=C4)C(=O)O

Isomeric SMILES

CO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=CC=CN5C=C4)C(=O)O

InChI

InChI=1S/C20H18N8O5S2/c1-33-24-12(15-23-20(21)35-25-15)16(29)22-13-17(30)28-14(19(31)32)10(9-34-18(13)28)7-26-5-6-27-4-2-3-11(27)8-26/h2-6,8,13,18H,7,9H2,1H3,(H3-,21,22,23,25,29,31,32)/p+1/b24-12+