Structure Information
Structure

Compound Identification

SMILES

COC1C2=CC(Cl)=C(O)C=C2ON2C(=O)C3NC(=O)C12SS3

InChIKey

InChIKey=ORCVLZUKCOAJIQ-UHFFFAOYSA-N

Formula

C12H9ClN2O5S2

Mass

360.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines

Direct Parent

Epipolythiodioxopiperazines

Alternative Parents

Alpha amino acids and derivatives Benzoxazines Halophenols 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Dithiazinanes Secondary carboxylic acid amides Organic disulfides Lactams Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzoxazine - Epipolythiodioxopiperazine - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Dithiazinane - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organic disulfide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epipolythiodioxopiperazines. These are compounds containing an epipolythiodioxopiperazine moiety, which consists of a 2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione ring system. One distinct characteristics of Epipolythiodioxopiperazines is the presence of unique di- or polysulfide bridges.

External Descriptors

Not available

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