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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Aryl bromides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
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