Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=NEJZCVTYWKTMRI-UHFFFAOYSA-N

Formula

C15H14N2O5S

Mass

334.35

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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 - Alkyl-phenylketone - Diarylthioether - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Acetophenone - Phenylketone - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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