Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=C(N[C@@H](O2)C2=CC=C(C=C2)C(O)=O)C=CC(Br)=C1
InChIKey
InChIKey=MTEHHLWDNBSDMW-INIZCTEOSA-N
Formula
C19H15BrN4O3S
Mass
459.32
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
Benzoic acids Benzoyl derivatives 1,3-oxazepines Alkylarylthioethers 1,2,4-triazines Aryl bromides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organobromides Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Meta-oxazepine - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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