Structure Information
Structure

Compound Identification

SMILES

CCC(CC1=CC2=C(OC(O2)(C(O)=O)C(O)=O)C=C1)NCC(O)C1=CC(SC)=CC=C1

InChIKey

InChIKey=NRFVIXMWZDXJRG-UHFFFAOYSA-N

Formula

C22H25NO7S

Mass

447.5

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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 - Aryl thioether - Thiophenol ether - Ketal - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Secondary amine - Thioether - Sulfenyl compound - Hydrocarbon derivative - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic alcohol - 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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