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English
N-(3-{[2-(Acetyloxy)cyclohexyl]sulfanyl}-1-methoxy-1-oxopropan-2-yl)ethanimidic acid
group of stereoisomers with the chemical formula C₁₄H₂₃NO₅S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
317.129693836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₃NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C(CSC1CCCCC1OC(C)=O)N=C(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)[C@H](CSC1CCCCC1OC(C)=O)NC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H23NO5S/c1-9(16)15-11(14(18)19-3)8-21-13-7-5-4-6-12(13)20-10(2)17/h11-13H,4-8H2,1-3H3,(H,15,16)/t11-,12?,13?/m0/s1
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InChIKey
SUDYOLZCOZLXPN-HIFPTAJRSA-N
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CAS Registry Number
73154-86-6
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PubChem CID
135532
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62323119
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70993894
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DSSTOX compound identifier
DTXCID001420936
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