Compound Identification
SMILES
CCC1=C(Br)C=C(S1)\C=C(/C#N)C(=O)OC(C)C
InChIKey
InChIKey=BCQOARNNGSHRQM-WEVVVXLNSA-N
Formula
C13H14BrNO2S
Mass
328.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
- Subclass 2,3,5-trisubstituted thiophenes
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Class
Thiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
2,3,5-trisubstituted thiophenes
Intermediate Tree Nodes
Not available
Direct Parent
2,3,5-trisubstituted thiophenes
Alternative Parents
Fatty acid esters Aryl bromides Heteroaromatic compounds Enoate esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,3,5-trisubstituted thiophene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
External Descriptors
Not available