7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(3-methyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(3-methyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(3-methyl-2H-tetrazol-3-ium-5-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[(3-methyl-2H-tetrazol-3-ium-5-yl)thio]methylthio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(3-methyl-2H-tetrazol-3-ium-5-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[(3-methyl-2H-tetrazol-3-ium-5-yl)thio]methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N9O5S4+ MolecularWeight: 530.60484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=NN1)SCSC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1=NC(=NN1)SCSC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C15H15N9O5S4/c1-23-20-15(19-22-23)33-4-32-6-3-30-12-8(11(26)24(12)9(6)13(27)28)18-10(25)7(21-29)5-2-31-14(16)17-5/h2,8,12H,3-4H2,1H3,(H5,16,17,18,25,27,28,29)/p+1