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

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-3-[2-dimethylaminoethyl(dimethyl)azaniumyl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[2-dimethylaminoethyl(dimethyl)ammonio]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[(E)-3-[2-dimethylaminoethyl(dimethyl)ammonio]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[2-dimethylaminoethyl(dimethyl)azaniumyl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-3-[(E)-3-[2-dimethylaminoethyl(dimethyl)ammonio]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H29FN8O5S2 MolecularWeight: 556.633963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+](C)(C)CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)[O-]

Isomeric SMILES

CN(C)CC[N+](C)(C)C/C=C/C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCF)/C3=NSC(=N3)N)SC1)C(=O)[O-]

InChI

InChI=1S/C21H29FN8O5S2/c1-28(2)7-9-30(3,4)8-5-6-12-10-36-19-14(18(32)29(19)15(12)20(33)34)24-17(31)13(26-35-11-22)16-25-21(23)37-27-16/h5-6,14,19H,7-11H2,1-4H3,(H3-,23,24,25,27,31,33,34)/b6-5+,26-13+