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

Systemtic Name: 3-[(E)-3-[(2-azanyl-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]prop-1-enyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2,2,2-tris(fluoranyl)ethoxyimino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(E)-3-[(2-amino-2-oxo-ethyl)-dimethyl-ammonio]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-3-[(2-amino-2-oxoethyl)-dimethylammonio]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-1-oxo-2-(2,2,2-trifluoroethoxyimino)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(E)-3-[(2-amino-2-oxoethyl)-dimethylazaniumyl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(E)-3-[(2-amino-2-keto-ethyl)-dimethyl-ammonio]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2,2-trifluoroethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H23F3N8O6S2 MolecularWeight: 592.57183

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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)/b4-3+,28-11+