Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1C(=O)OCC1=COC(=N1)C1=CC=CS1

InChIKey

InChIKey=OUEMVVCZRQBYNL-UHFFFAOYSA-N

Formula

C16H13NO3S2

Mass

331.4

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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

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - 2,4-disubstituted 1,3-oxazole - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Thioether - Azacycle - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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