sodium (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridyl)methoxyimino]acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-1-oxoethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-keto-2-pyridyl)methyloximino]acetyl]amino]-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H17N6NaO9S2 MolecularWeight: 560.49285

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC3=CC(=O)C(=CN3O)O)C4=CSC(=N4)N)C(=O)[O-])CO.[Na+]

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C19H18N6O9S2.Na/c20-19-21-9(6-36-19)12(23-34-4-8-1-10(27)11(28)2-24(8)33)15(29)22-13-16(30)25-14(18(31)32)7(3-26)5-35-17(13)25;/h1-2,6,13,17,26,28,33H,3-5H2,(H2,20,21)(H,22,29)(H,31,32);/q;+1/p-1/b23-12+;/t13-,17-;/m1./s1