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(Q83128033)
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English
beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)dithio)-N-(1-methylethyl)-, ethyl ester
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
442.1596140599999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀N₂O₅S₂
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canonical SMILES
CCOC(=O)CCN(C(C)C)SSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
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Identifiers
InChI
InChI=1S/C20H30N2O5S2/c1-7-25-17(23)11-12-22(14(2)3)29-28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
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InChIKey
LVIWSTULBFRUBL-UHFFFAOYSA-N
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CAS Registry Number
98859-42-8
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PubChem CID
179116
1 reference
matched by identifier from
InChIKey
InChIKey
LVIWSTULBFRUBL-UHFFFAOYSA-N
UniChem compound ID
42926568
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60243850
1 reference
matched by identifier from
InChIKey
InChIKey
LVIWSTULBFRUBL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90166341
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