Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCCC1C1=NN=C2SCC(=NN12)C1=CC=C(Br)C=C1

InChIKey

InChIKey=CWXOULGZVHMQKI-UHFFFAOYSA-N

Formula

C19H22BrN5O2S

Mass

464.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Pyrrolidine carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolidine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Pyrrolidine carboxylic acid - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Azacycle - Thioether - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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