Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C=C1)C1=NC(CC(O)=O)=CS1

InChIKey

InChIKey=AQDKCBABWSPBMW-UHFFFAOYSA-N

Formula

C13H13NO2S

Mass

247.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Xylenes

Intermediate Tree Nodes

Not available

Direct Parent

m-Xylenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

M-xylene - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.

External Descriptors

Not available

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