Compound Identification
SMILES
CCCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC=C(C=C1)C(=O)OC)C(C)=O
InChIKey
InChIKey=LAXBFHKUSNVCTL-OAQYLSRUSA-N
Formula
C23H22N4O4S
Mass
450.51
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 acid esters Benzoyl derivatives 1,3-oxazepines Alkylarylthioethers 1,2,4-triazines Tertiary carboxylic acid amides Acetamides Methyl esters Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Meta-oxazepine - Alkylarylthioether - Triazine - Benzenoid - Monocyclic benzene moiety - 1,2,4-triazine - Methyl ester - Tertiary carboxylic acid amide - Acetamide - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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