Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(C)SC2=CC=CC=[N+]2[O-])SC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=CDEXBVOFRNNBTH-UHFFFAOYSA-N
Formula
C21H20N2O4S2
Mass
428.52
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
2,3,5-trisubstituted thiophenes N-arylamides Alkylarylthioethers Benzene and substituted derivatives Pyridinium derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Carbonyl group - Organic oxygen compound - Organic cation - 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