Compound Identification
SMILES
CN(C)CC1=C2C(=CC(Br)=C1O)N(C)C(CSC1=CC=CC=C1)=C2C(O)=O
InChIKey
InChIKey=VHHZRXQJHRQWKZ-UHFFFAOYSA-N
Formula
C20H21BrN2O3S
Mass
449.36
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 O-bromophenols Alkylarylthioethers Aralkylamines Aryl bromides Benzene and substituted derivatives N-methylpyrroles Heteroaromatic compounds Vinylogous amides Amino acids Trialkylamines Sulfenyl compounds Carboxylic acids Azacyclic compounds Organooxygen compounds 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 - Pyrrole-3-carboxylic acid or derivatives - Thiophenol ether - Phenol - Alkylarylthioether - Aralkylamine - Benzenoid - Aryl bromide - Substituted pyrrole - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Vinylogous amide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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