Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC(O)=O)C=CC(=C1)[C@@H]1NC2=C(C=C(Br)C=C2)C2=C(O1)N=C(SC)N=N2

InChIKey

InChIKey=XBSUCINSPZDNON-LJQANCHMSA-N

Formula

C21H19BrN4O5S

Mass

519.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazepine - Phenoxyacetate - Phenoxy compound - Aryl thioether - Phenol ether - Meta-oxazepine - Alkyl aryl ether - Alkylarylthioether - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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