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(Q82959823)
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English
N-[3-(Ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-N'-phenylcarbamimidothioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
346.08096981600005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₈N₂O₂S₂
0 references
canonical SMILES
CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C17H18N2O2S2/c1-2-21-16(20)14-12-9-6-10-13(12)23-15(14)19-17(22)18-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,18,19,22)
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InChIKey
PPFLUKYHYXIBFN-UHFFFAOYSA-N
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CAS Registry Number
59898-49-6
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PubChem CID
812440
1 reference
matched by identifier from
InChIKey
InChIKey
PPFLUKYHYXIBFN-UHFFFAOYSA-N
UniChem compound ID
15473820
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80975308
1 reference
matched by identifier from
InChIKey
InChIKey
PPFLUKYHYXIBFN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601402714
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