Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(CCO2)=NOC(=O)C1=CC=CC=C1SC

InChIKey

InChIKey=SORKCPAOOWKZRJ-UHFFFAOYSA-N

Formula

C18H17NO4S

Mass

343.4

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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

Chromane - Benzopyran - O-sulfanylbenzoic acid or derivatives - 1-benzopyran - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Vinylogous thioester - Oximester - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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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