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(Q82171573)
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English
Methyl 4-(propane-1-sulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
313.04424996000006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₅NO₄S₂
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canonical SMILES
CCCS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC
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Identifiers
InChI
InChI=1S/C13H15NO4S2/c1-3-8-20(16,17)10-9-19-12(13(15)18-2)11(10)14-6-4-5-7-14/h4-7,9H,3,8H2,1-2H3
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InChIKey
BALAJZMYNUOHTD-UHFFFAOYSA-N
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CAS Registry Number
175201-78-2
1 reference
InChIKey
BALAJZMYNUOHTD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=175201-78-2
PubChem CID
2778582
1 reference
matched by identifier from
InChIKey
InChIKey
BALAJZMYNUOHTD-UHFFFAOYSA-N
UniChem compound ID
17113582
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50381013
1 reference
matched by identifier from
InChIKey
InChIKey
BALAJZMYNUOHTD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80332038
0 references
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