Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC(=CC3=CC4=C(OCO4)C=C3Cl)C(=O)N2C1C1=CC=C(OC)C=C1

InChIKey

InChIKey=NOEBZSSVHZQJGS-UHFFFAOYSA-N

Formula

C25H21ClN2O6S

Mass

512.96

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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 - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - Acetal - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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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