Compound Identification
SMILES
CCC(=O)N(CC1=CC=C(C)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=BTXGDYTVPCPJMY-UHFFFAOYSA-N
Formula
C22H21NO3S
Mass
379.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Thiophene carboxylic acids and derivatives
- Level 5 Thiophene carboxylic acids
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Subclass
Thiophene carboxylic acids and derivatives
-
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
Alternative Parents
2,3,5-trisubstituted thiophenes Toluenes Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid - 2,3,5-trisubstituted thiophene - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
External Descriptors
Not available