7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-3-[dimethyl(2H-1,2,3,4-tetrazol-5-ylmethyl)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-[dimethyl(2H-1,2,3,4-tetrazol-5-ylmethyl)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-[dimethyl(2H-tetrazol-5-ylmethyl)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-[dimethyl(2H-tetrazol-5-ylmethyl)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-[dimethyl(2H-tetrazol-5-ylmethyl)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-[dimethyl(2H-tetrazol-5-ylmethyl)ammonio]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H22FN11O5S2 MolecularWeight: 567.577083

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)[O-])CC4=NNN=N4

Isomeric SMILES

C[N+](C)(C/C=C/C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCF)/C3=NSC(=N3)N)SC1)C(=O)[O-])CC4=NNN=N4

InChI

InChI=1S/C19H22FN11O5S2/c1-31(2,6-10-24-28-29-25-10)5-3-4-9-7-37-17-12(16(33)30(17)13(9)18(34)35)22-15(32)11(26-36-8-20)14-23-19(21)38-27-14/h3-4,12,17H,5-8H2,1-2H3,(H4-,21,22,23,24,25,27,28,29,32,34,35)/b4-3+,26-11+