Compound Identification
SMILES
COC1=CC=CC=C1[C@@H]1O[C@@H](CC(O)=O)C(=S)NC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=GGEYAHAAPPJCKX-RDJZCZTQSA-N
Formula
C18H16ClNO4S
Mass
377.84
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 Alkyl aryl ethers Aryl chlorides Thiolactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiolactam - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - 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