Structure Information
Structure

Compound Identification

SMILES

CCN1\C(=C/C=C/C2=[N+](CC)C3=CC=CC=C3O2)N(CC(CS([O-])(=O)=O)OC(C)=O)C2=CC(Cl)=C(Cl)C=C12

InChIKey

InChIKey=VUWMFLLNEXBFLA-UHFFFAOYSA-N

Formula

C26H27Cl2N3O6S

Mass

580.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Benzimidazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxazole - Azole - Ketene acetal or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

External Descriptors

Not available

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