Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=NN(C2=CC=CC(C)=C2)[C@]2(S\C(=C\C3=CC4=C(OCO4)C=C3)C(=O)N2C2=CC=CC=C2)S1

InChIKey

InChIKey=MJUQKOPIOLXWLU-UQZLWQNHSA-N

Formula

C27H21N3O5S2

Mass

531.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiadiazoline - Thiazolidine - Methyl ester - Carboxamide group - Carboxylic acid ester - Thioenolether - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Acetal - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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