sodium 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H15N6NaO6S2 MolecularWeight: 450.42527

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CO)C(=O)[O-].[Na+]

Isomeric SMILES

CCO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CO)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H16N6O6S2.Na/c1-2-26-18-6(9-17-14(15)28-19-9)10(22)16-7-11(23)20-8(13(24)25)5(3-21)4-27-12(7)20;/h7,12,21H,2-4H2,1H3,(H,16,22)(H,24,25)(H2,15,17,19);/q;+1/p-1/b18-6+;