Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=NC(SC2=CC=CC(OC)=C2C(O)=O)=N1

InChIKey

InChIKey=WPESGLYPWJOKPM-UHFFFAOYSA-N

Formula

C14H14N2O5S

Mass

322.34

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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

Benzoic acids

Direct Parent

2-pyrimidinylthiobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-pyrimidinylthiobenzoic acid - O-methoxybenzoic acid or derivatives - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.

External Descriptors

Not available

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