Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C2=C1C(CSC1=CC=CC=C1)=C(O)C=C2)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=PLDWHIXSECCJKG-UHFFFAOYSA-N
Formula
C25H22ClNO3S
Mass
451.97
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
Phenylpyrroles Hydroxyindoles Indoles Thiophenol ethers Pyrrole carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - 1-phenylpyrrole - Hydroxyindole - Indole - Aryl thioether - Pyrrole-3-carboxylic acid or derivatives - Thiophenol ether - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Substituted pyrrole - Aryl halide - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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