Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C2=CC=CC=C2I)SC2=C1CCN(C2)C(C)=O

InChIKey

InChIKey=OBOCPLWHQDVHNM-UHFFFAOYSA-N

Formula

C18H17IN2O4S

Mass

484.31

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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

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Vinylogous halide - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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