Compound Identification
SMILES
OC(=O)CCN1C=C(C(=O)C2=C3CS[C@@H](N3C=C2)C2=CN=CC=C2)C2=C1C=C(C=C2)C1=CC=C(F)C=C1
InChIKey
InChIKey=NEKJJSVYRIAWEI-GDLZYMKVSA-N
Formula
C29H22FN3O3S
Mass
511.57
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
Indolecarboxylic acids and derivatives N-alkylindoles Indoles Aryl ketones Fluorobenzenes Substituted pyrroles Pyridines and derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - Indolecarboxylic acid derivative - N-alkylindole - Indole - Aryl ketone - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Substituted pyrrole - Pyridine - Aryl fluoride - Vinylogous amide - Pyrrole - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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