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

Systemtic Name: sodium 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H16N7NaO6S4 MolecularWeight: 565.60201

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])CSC4=NN=C(S4)CCO.[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)[O-])CSC4=NN=C(S4)CCO.[Na+]

InChI

InChI=1S/C17H17N7O6S4.Na/c18-16-19-7(5-32-16)9(23-30)12(26)20-10-13(27)24-11(15(28)29)6(3-31-14(10)24)4-33-17-22-21-8(34-17)1-2-25;/h5,10,14,25,30H,1-4H2,(H2,18,19)(H,20,26)(H,28,29);/q;+1/p-1/b23-9-;