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

Systemtic Name: sodium 3-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-[[1-(2-amino-2-oxo-ethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-[[[1-(2-amino-2-oxoethyl)-5-tetrazolyl]thio]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-[[1-(2-amino-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-[[[1-(2-amino-2-keto-ethyl)tetrazol-5-yl]thio]methyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N10NaO6S3 MolecularWeight: 562.53847

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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=NN4CC(=O)N.[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)[O-])CSC4=NN=NN4CC(=O)N.[Na+]

InChI

InChI=1S/C16H16N10O6S3.Na/c17-7(27)1-25-16(21-23-24-25)35-3-5-2-33-13-9(12(29)26(13)10(5)14(30)31)20-11(28)8(22-32)6-4-34-15(18)19-6;/h4,9,13,32H,1-3H2,(H2,17,27)(H2,18,19)(H,20,28)(H,30,31);/q;+1/p-1/b22-8-;