Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(SC(N)=N)C1=CC=C(OCCN(C)C2=NC3=CC=CC=C3O2)C=C1

InChIKey

InChIKey=BRPYYVLPTZKCAJ-UHFFFAOYSA-N

Formula

C20H22N4O4S

Mass

414.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Oxazole - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Imine - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

External Descriptors

Not available

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