Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(CSC2=CC=CC=C2)N(C2=CC(Br)=C(O)C(C[NH+](C)C)=C12)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=MFLYOUKVIZITHP-UHFFFAOYSA-O

Formula

C27H27BrClN2O3S

Mass

574.94

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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 - 1-phenylpyrrole - Hydroxyindole - Indole - 2-halophenol - Aryl thioether - 2-bromophenol - Pyrrole-3-carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Aralkylamine - Chlorobenzene - Halobenzene - Phenol - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Aryl bromide - Vinylogous amide - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organobromide - Organochloride - Organonitrogen compound - Organic cation - 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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