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English
3-[(Acetyloxy)methyl]-7-{[2-fluoro-1-hydroxy-2-(thiophen-2-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₁₅FN₂O₆S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
414.0355564200001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₅FN₂O₆S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)C(F)c3cccs3)C2SC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(F)c3cccs3)C2SC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H15FN2O6S2/c1-7(20)25-5-8-6-27-15-11(14(22)19(15)12(8)16(23)24)18-13(21)10(17)9-3-2-4-26-9/h2-4,10-11,15H,5-6H2,1H3,(H,18,21)(H,23,24)/t10?,11-,15?/m1/s1
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InChIKey
SYQKPJZGUFYKJG-LOIXOFCESA-N
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CAS Registry Number
94788-69-9
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PubChem CID
125241
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49819392
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80915305
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DSSTOX compound identifier
DTXCID701344282
0 references
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