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CHEBI:82858 - (S)-ethaboxam

ChEBI IDCHEBI:82858
ChEBI Name(S)-ethaboxam
Stars
ASCII Name(S)-ethaboxam
DefinitionAn N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide that is the (S)-enantiomer of ethaboxam.
Last Modified4 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC14H16N4OS2
Net Charge0
Average Mass320.443
Monoisotopic Mass320.07655
SMILESCCNc1nc(CC)c(C(=O)N[C@@H](C#N)c2cccs2)s1
InChIInChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyNQRFDNJEBWAUBL-JTQLQIEISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-ethaboxam (CHEBI:82858) is a N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide (CHEBI:82857)
(S)-ethaboxam (CHEBI:82858) is enantiomer of (R)-ethaboxam (CHEBI:82859)
Incoming Relation(s)
ethaboxam (CHEBI:82856) has part (S)-ethaboxam (CHEBI:82858)
(R)-ethaboxam (CHEBI:82859) is enantiomer of (S)-ethaboxam (CHEBI:82858)
IUPAC Name 
N-[(S)-cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
Citations