7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(4-formamidopyrimidin-2-yl)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(4-formamidopyrimidin-2-yl)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(4-formamidopyrimidin-2-yl)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(1-cyclopent-2-enyloxyimino)-2-(4-formamido-2-pyrimidinyl)-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(4-formamidopyrimidin-2-yl)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-cyclopent-2-en-1-yloximino-2-(4-formamidopyrimidin-2-yl)acetyl]amino]-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H23N7O6S MolecularWeight: 549.55842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)ON=C(C2=NC=CC(=N2)NC=O)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1CC(C=C1)O/N=C(\C2=NC=CC(=N2)NC=O)/C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C25H23N7O6S/c33-14-27-17-8-9-26-21(28-17)18(30-38-16-6-2-3-7-16)22(34)29-19-23(35)32-20(25(36)37)15(13-39-24(19)32)12-31-10-4-1-5-11-31/h1-2,4-6,8-11,14,16,19,24H,3,7,12-13H2,(H2-,26,27,28,29,33,34,36,37)/b30-18+