Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)OC1=C(N(C)S(=O)(=O)C2=C1SC=C2)C(=O)NC1=CC=CC=N1

InChIKey

InChIKey=XHWXIBRWSGTWSD-UHFFFAOYSA-N

Formula

C21H17N3O6S2

Mass

471.5

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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 - Alpha-amino acid or derivatives - Benzoate ester - Thienothiazine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Ortho-thiazine - Pyridine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Thiophene - Organosulfonic acid or derivatives - Heteroaromatic compound - Enol ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen 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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