Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(=CC(OCC)=C1OCC)C(=O)N=C1SC2=C(C=CC(Br)=C2)N1CC#C

InChIKey

InChIKey=KIMAWSJNNOAUBO-UHFFFAOYSA-N

Formula

C23H23BrN2O4S

Mass

503.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoic acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Azacycle - Carboxylic acid derivative - Acetylide - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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