Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OC)=C(NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C2=CC=CO2)S1
InChIKey
InChIKey=KEVIOAVBOYDDTM-UHFFFAOYSA-N
Formula
C21H18F3N3O6S2
Mass
529.51
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
N-arylamides Alkylarylthioethers Dicarboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Methyl esters Heteroaromatic compounds Furans Vinylogous amides Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Alkylarylthioether - Dicarboxylic acid or derivatives - Pyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organic nitrogen 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