Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:82858 - (
S
)-ethaboxam
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
S
)-ethaboxam
ChEBI ID
CHEBI:82858
ChEBI ASCII Name
(S)-ethaboxam
Definition
An
N
-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide that is the (
S
)-enantiomer of ethaboxam.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C14H16N4OS2
Net Charge
0
Average Mass
320.43300
Monoisotopic Mass
320.07655
InChI
InChI=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
InChIKey
NQRFDNJEBWAUBL-JTQLQIEISA-N
SMILES
CCNc1nc(CC)c(s1)C(=O)N[C@@H](C#N)c1cccs1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
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
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
Citation
Type
Source
16438788
PubMed citation
Europe PMC
Last Modified
04 September 2014