Structure Information
Structure

Compound Identification

SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)O[C@@H](C)C(=O)NC1=CC2=C(OCCO2)C=C1

InChIKey

InChIKey=OGHCTEAHNBEZRV-OIJAAMDRSA-N

Formula

C20H21NO6S

Mass

403.45

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzoyl - N-arylamide - Alkyl aryl ether - Para-dioxin - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Ether - Organoheterocyclic compound - Sulfinyl compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

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