3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-oxo-2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-(5-keto-2H-1,2,4-oxadiazol-3-yl)-2-phenyl-acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H18N8O6S2 MolecularWeight: 530.53692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)C5=NC(=O)ON5)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)C5=NC(=O)ON5)SC2)C(=O)O

InChI

InChI=1S/C20H18N8O6S2/c1-27-19(23-25-26-27)36-8-10-7-35-17-12(16(30)28(17)13(10)18(31)32)21-15(29)11(9-5-3-2-4-6-9)14-22-20(33)34-24-14/h2-6,11-12,17H,7-8H2,1H3,(H,21,29)(H,31,32)(H,22,24,33)