[(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-bis(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-bis(2-hydroxyethyl)-methyl-azanium Openeye Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-bis(2-hydroxyethyl)-methyl-ammonium CAS Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-bis(2-hydroxyethyl)-methylammonium IUPAC Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-bis(2-hydroxyethyl)-methylazanium Traditional Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-bis(2-hydroxyethyl)-methyl-ammonium Formula: C20H27FN7O7S2+ MolecularWeight: 560.599483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](CCO)(CCO)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/C20H26FN7O7S2/c1-28(5-7-29,6-8-30)4-2-3-11-9-36-18-13(17(32)27(18)14(11)19(33)34)23-16(31)12(25-35-10-21)15-24-20(22)37-26-15/h2-3,13,18,29-30H,4-10H2,1H3,(H3-,22,23,24,26,31,33,34)/p+1/b3-2+,25-12+