Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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