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(Q82141339)
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English
2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoic 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
393.48
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₉NO₅S₂
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canonical SMILES
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=CC=C2C(=O)O
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Identifiers
InChI
InChI=1S/C18H19NO5S2/c1-4-24-18(23)15-10(2)11(3)26-16(15)19-14(20)9-25-13-8-6-5-7-12(13)17(21)22/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,22)
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InChIKey
OVASFDIKJMKNRQ-UHFFFAOYSA-N
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CAS Registry Number
5301-94-0
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PubChem CID
1040372
1 reference
matched by identifier from
InChIKey
InChIKey
OVASFDIKJMKNRQ-UHFFFAOYSA-N
UniChem compound ID
688353
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00359909
1 reference
matched by identifier from
InChIKey
InChIKey
OVASFDIKJMKNRQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70310961
0 references
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