Compound Identification
SMILES
CC1=C(CN2C=CC3=C2C(CCC(O)=O)=CC=C3)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=MBACXIHERRNUKC-UHFFFAOYSA-N
Formula
C23H19F3N2O2S
Mass
444.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes N-alkylindoles Indoles 2,4,5-trisubstituted thiazoles Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - Trifluoromethylbenzene - N-alkylindole - Indole - 2,4,5-trisubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Thiazole - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors
Not available