Structure Information
Structure

Compound Identification

SMILES

COC1=C(CSC2(CC(O)=O)NC3=CC=CC=C3N2)C=C(C=C1)C(=O)OC(C)C

InChIKey

InChIKey=LRAYUVQRRMCOMC-UHFFFAOYSA-N

Formula

C21H24N2O5S

Mass

416.49

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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

Methoxybenzoic acids and derivatives

Direct Parent

P-methoxybenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-methoxybenzoic acid or derivatives - Benzoate ester - Benzimidazole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.

External Descriptors

Not available

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