Compound Identification
SMILES
CC1=C(C=C(N1CC1CCCCC1)C1=CSC(=N1)C1=CC=CC=C1F)C(O)=O
InChIKey
InChIKey=NCVCTJMKRRXJQA-UHFFFAOYSA-N
Formula
C22H23FN2O2S
Mass
398.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Pyrrole carboxylic acids and derivatives
- Level 5 Pyrrole carboxylic acids
-
Subclass
Pyrrole carboxylic acids and derivatives
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrole carboxylic acids
Alternative Parents
Fluorobenzenes 2,4-disubstituted thiazoles Substituted pyrroles Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-3-carboxylic acid - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxylic acids. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group.
External Descriptors
Not available