Structure Information
Structure

Compound Identification

SMILES

COc1cc(OC)nc(Sc2c(Cl)ccc(OC)c2C(O)=O)n1

InChIKey

InChIKey=IUYDJCYJSRHIOV-UHFFFAOYSA-N

Formula

C14H13ClN2O5S

Mass

356.78

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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-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Thiophenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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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