Compound Identification
SMILES
CC(C)(C)SC1=C(N(CC2=CC=C(Cl)C=C2)C2=C1C=C(OCC=C)C=C2)C([O-])=O
InChIKey
InChIKey=XCJNPRSJDNTYKZ-UHFFFAOYSA-M
Formula
C23H23ClNO3S
Mass
428.95
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
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
N-alkylindoles Indoles Phenol ethers Pyrrole 2-carboxylic acids Alkyl aryl ethers Chlorobenzenes Alkylarylthioethers Vinylogous thioesters Aryl chlorides Substituted pyrroles Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - N-alkylindole - Indole - Aryl thioether - Phenol ether - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Substituted pyrrole - Vinylogous thioester - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available