Structure Information
Structure

Compound Identification

SMILES

CCN1C(=S)SC(=CC2=CC(OC)=C(OCC3=CC=C(C=C3)C(O)=O)C(Cl)=C2)C1=O

InChIKey

InChIKey=SVHJLEUZFZPGLC-UHFFFAOYSA-N

Formula

C21H18ClNO5S2

Mass

463.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Thiazolidinethione - Dithiocarbamic acid ester - Cyclic dithiocarbamic acid ester - Thiazolidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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