Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.COC1=C(SC2=CC=CC=C2)C=C2CCN(C)CCC2=C1
InChIKey
InChIKey=HFMUIKKTWNCXEO-WLHGVMLRSA-N
Formula
C22H25NO5S
Mass
415.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Diarylthioethers Anisoles Thiophenol ethers Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives Benzene and substituted derivatives Unsaturated fatty acids Trialkylamines Carboxylic acids Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Benzazepine - Diarylthioether - Aryl thioether - Anisole - Thiophenol ether - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Tertiary aliphatic amine - Tertiary amine - Ether - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available