Structure Information
Structure

Compound Identification

SMILES

COC(=O)N1[C@H]2CCSC[C@@H]2C2=CC=CC=C12

InChIKey

InChIKey=JQHXLDJYRWSUHO-PWSUYJOCSA-N

Formula

C13H15NO2S

Mass

249.33

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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

Alternative Parents

Thianes Benzenoids Carbamate esters Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid - Benzenoid - Thiane - Carbamic acid ester - Azacycle - Dialkylthioether - Thioether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.

External Descriptors

Not available

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