(2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2,2,2-tris(fluoranyl)ethoxyimino]ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2,2,2-tris(fluoranyl)ethoxyimino]ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-1-oxo-2-(2,2,2-trifluoroethoxyimino)ethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylazanium Traditional Name: (2-amino-2-keto-ethyl)-[(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethyloximino)acetyl]amino]-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-ammonium Formula: C20H24F3N8O6S2+ MolecularWeight: 593.57977

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(F)(F)F)C3=NSC(=N3)N)SC1)C(=O)O)CC(=O)N

Isomeric SMILES

C[N+](C)(C/C=C/C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(F)(F)F)/C3=NSC(=N3)N)SC1)C(=O)O)CC(=O)N

InChI

InChI=1S/C20H23F3N8O6S2/c1-31(2,6-10(24)32)5-3-4-9-7-38-17-12(16(34)30(17)13(9)18(35)36)26-15(33)11(14-27-19(25)39-29-14)28-37-8-20(21,22)23/h3-4,12,17H,5-8H2,1-2H3,(H5-,24,25,26,27,29,32,33,35,36)/p+1/b4-3+,28-11+