Compound Identification
SMILES
CCOC(=O)C(=CNC1=C(SC=C1)C(=O)OC)C(=O)C(F)(F)F
InChIKey
InChIKey=XKTWHVIRYZPWPR-UHFFFAOYSA-N
Formula
C13H12F3NO5S
Mass
351.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Aminothiophenes Acryloyl compounds Vinylogous amides Alpha-haloketones Enoate esters Enones Heteroaromatic compounds Methyl esters Enamines Allylamines Monocarboxylic acids and derivatives Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Fatty acid ester - Beta-keto acid - Keto acid - Aminothiophene - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Alpha-haloketone - Acryloyl-group - Heteroaromatic compound - Vinylogous amide - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Allylamine - Enamine - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Amine - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available