Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(CC(=O)OC)N1C=C(NC(=O)C2=CC=CC=C2SC(F)F)C=N1

InChIKey

InChIKey=CXQSRLDGNFSONT-UHFFFAOYSA-N

Formula

C18H19F2N3O5S

Mass

427.42

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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

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Dicarboxylic acid or derivatives - Vinylogous thioester - Fatty acyl - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-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 2, respectively.

External Descriptors

Not available

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