sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[5-(methoxymethyl)-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-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[5-(methoxymethyl)-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-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[5-(methoxymethyl)-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-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[[5-(methoxymethyl)-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-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[5-(methoxymethyl)-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-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-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:

COCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

COCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H17N7O6S4.Na/c1-30-2-8-21-22-17(34-8)33-4-6-3-31-14-10(13(26)24(14)11(6)15(27)28)20-12(25)9(23-29)7-5-32-16(18)19-7;/h5,10,14,29H,2-4H2,1H3,(H2,18,19)(H,20,25)(H,27,28);/q;+1/p-1/b23-9+;