Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C=C(Cl)C=C1)C1=CC=C(O1)C=C(SC1=NNC(C)=N1)C(O)=O

InChIKey

InChIKey=CJJQEHUXTVKPRD-UHFFFAOYSA-N

Formula

C18H14ClN3O5S

Mass

419.84

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aryl thioether - Chlorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Azole - 1,2,4-triazole - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

Previous Back Next