Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=CC(C(=O)N(C)CC#N)=C(OC)C(=C1)C(O)=O

InChIKey

InChIKey=SJOCTGJIPHRNES-UHFFFAOYSA-N

Formula

C25H25N3O6S

Mass

495.55

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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

O-methoxybenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-methoxybenzoic acid or derivatives - Benzamide - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.

External Descriptors

Not available

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