Compound Identification
SMILES
COC1=CC=CC([C@@H]2O[C@@H](CC(O)=O)C(=S)NC3=C2C=C(F)C=C3)=C1C
InChIKey
InChIKey=PBKWGUCZFFKFMR-WMZOPIPTSA-N
Formula
C19H18FNO4S
Mass
375.41
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
Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Aryl fluorides Thiolactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Thiocarbonyl compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiolactam - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - 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