Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(SC)=C1)C(=O)N1CCOC(COC2=NC(OCC=C)=NC(OCC=C)=N2)C1

InChIKey

InChIKey=UNPLYFLTXJYBLF-UHFFFAOYSA-N

Formula

C23H28N4O6S

Mass

488.56

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-sulfanylbenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - Phenol ether - Thiophenol ether - Methoxybenzene - Phenoxy compound - Benzoyl - Alkoxy-s-triazine - Anisole - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Triazine - Morpholine - Oxazinane - 1,3,5-triazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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