Structure Information
Structure

Compound Identification

SMILES

CCC1=C(Br)C=C(S1)\C=C(/C#N)C(=O)OC(C)C

InChIKey

InChIKey=BCQOARNNGSHRQM-WEVVVXLNSA-N

Formula

C13H14BrNO2S

Mass

328.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiophenes

Subclass

2,3,5-trisubstituted thiophenes

Intermediate Tree Nodes

Not available

Direct Parent

2,3,5-trisubstituted thiophenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2,3,5-trisubstituted thiophene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.

External Descriptors

Not available

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