Structure Information
Structure

Compound Identification

SMILES

CCSCCOC(=O)C1=C(C)NC2=C(C1C1=CC3=C(OCO3)C=C1Br)C(=O)C(C(C)C2)C(=O)OC

InChIKey

InChIKey=BBVHITNCPLTGQS-UHFFFAOYSA-N

Formula

C25H28BrNO7S

Mass

566.46

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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 - Cyclohexenone - Dihydropyridine - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Enamine - Dialkylthioether - Secondary amine - Thioether - Sulfenyl compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Aldehyde - 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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