sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[(4-methyl-5-methylol-1,2,4-triazol-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H17N8NaO6S3 MolecularWeight: 548.55165

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)[O-])CO.[Na+]

Isomeric SMILES

CN1C(=NN=C1SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C17H18N8O6S3.Na/c1-24-8(2-26)21-22-17(24)34-4-6-3-32-14-10(13(28)25(14)11(6)15(29)30)20-12(27)9(23-31)7-5-33-16(18)19-7;/h5,10,14,26,31H,2-4H2,1H3,(H2,18,19)(H,20,27)(H,29,30);/q;+1/p-1/b23-9+;