Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=C(OC(=O)CC)C=CC(Cl)=C1)C(=O)CC
InChIKey
InChIKey=HWZUAUPBDNQNAY-HSZRJFAPSA-N
Formula
C24H23ClN4O4S
Mass
498.98
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
Phenol esters Phenoxy compounds 1,3-oxazepines Alkylarylthioethers Chlorobenzenes 1,2,4-triazines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenol ester - Phenoxy compound - Aryl thioether - Meta-oxazepine - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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