Structure Information
Structure

Compound Identification

SMILES

CC(Br)C(=O)NC1=C(C#N)C2=C(COC(C)(C)C2)S1

InChIKey

InChIKey=YZLUQKQFLQJIRE-UHFFFAOYSA-N

Formula

C13H15BrN2O2S

Mass

343.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thienopyran - N-arylamide - Pyran - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alkyl bromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

External Descriptors

Not available

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