Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=AOBDKCMCPUXSBO-UHFFFAOYSA-N

Formula

C14H11F3N2O4S

Mass

360.31

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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 - Diarylthioether - O-sulfanylbenzoic acid - Trifluoromethylbenzene - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkyl aryl ether - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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