Compound Identification
SMILES
Cl.CCOC(=O)C1=C(CSC2=CC=CC=C2)N(C)C2=CC(Br)=C(O)C(CN(C)C)=C12
InChIKey
InChIKey=OMZHXQXQJGCSKN-UHFFFAOYSA-N
Formula
C22H26BrClN2O3S
Mass
513.88
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
Hydroxyindoles N-alkylindoles Indoles Thiophenol ethers Pyrrole carboxylic acids and derivatives O-bromophenols Alkylarylthioethers Aralkylamines Aryl bromides Benzene and substituted derivatives N-methylpyrroles Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Amino acids and derivatives Trialkylamines Sulfenyl compounds Azacyclic compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - N-alkylindole - Hydroxyindole - Indole - 2-halophenol - Aryl thioether - 2-bromophenol - Pyrrole-3-carboxylic acid or derivatives - Thiophenol ether - Phenol - Alkylarylthioether - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Substituted pyrrole - Vinylogous amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Thioether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organosulfur compound - Amine - 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