Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=XLAOANJPJHAFBR-UHFFFAOYSA-N

Formula

C16H18N2O5S

Mass

350.39

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