sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(4,5-dimethyl-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-[(4,5-dimethyl-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-[(4,5-dimethyl-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-[[(4,5-dimethyl-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-[(4,5-dimethyl-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]-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H17N8NaO5S3 MolecularWeight: 532.55225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN=C(N1C)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18N8O5S3.Na/c1-6-21-22-17(24(6)2)33-4-7-3-31-14-10(13(27)25(14)11(7)15(28)29)20-12(26)9(23-30)8-5-32-16(18)19-8;/h5,10,14,30H,3-4H2,1-2H3,(H2,18,19)(H,20,26)(H,28,29);/q;+1/p-1/b23-9+;