(6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)sulfanylethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)sulfanylethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)sulfanylvinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[(E)-2-[(1-methyl-2-pyridin-1-iumyl)thio]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-8-keto-3-[(E)-2-[(1-methylpyridin-1-ium-2-yl)thio]vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19FN7O5S3+ MolecularWeight: 552.602163

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCF)C4=NSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1=CC=CC=C1S/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCF)/C4=NSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C20H18FN7O5S3/c1-27-6-3-2-4-11(27)34-7-5-10-8-35-18-13(17(30)28(18)14(10)19(31)32)23-16(29)12(25-33-9-21)15-24-20(22)36-26-15/h2-7,13,18H,8-9H2,1H3,(H3-,22,23,24,26,29,31,32)/p+1/b7-5+,25-12-/t13-,18-/m1/s1