Structure Information
Structure

Compound Identification

SMILES

O=C(COC(=O)CCCC[C@H]1CCSS1)NC1=CC=CC(=C1)C#N

InChIKey

InChIKey=QTOPNZSRWVYAHT-HNNXBMFYSA-N

Formula

C17H20N2O3S2

Mass

364.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dithiolanes

Subclass

Lipoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lipoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Lipoic_acid_derivative - Anilide - Benzonitrile - N-arylamide - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Carboxamide group - Carboxylic acid ester - Organic disulfide - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.

External Descriptors

Not available

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