7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-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-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-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-carboxylate Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-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-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-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-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-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-carboxylate Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-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-carboxylate Formula: C21H18ClN7O5S2 MolecularWeight: 547.99452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN7O5S2/c1-34-26-13(12-16(22)36-21(23)25-12)17(30)24-14-18(31)29-15(20(32)33)10(9-35-19(14)29)7-27-5-6-28-4-2-3-11(28)8-27/h2-6,8,14,19H,7,9H2,1H3,(H3-,23,24,25,30,32,33)/b26-13+