Compound Identification
SMILES
CC(C)CC1=C(S[C@@H](CC(=O)OC(C)(C)C)C(O)=O)C=CC(=C1)C(C)(C)C#N
InChIKey
InChIKey=JSAMPUUEJGLDQD-SFHVURJKSA-N
Formula
C22H31NO4S
Mass
405.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Thiophenol ethers Thia fatty acids Fatty acid esters Alkylarylthioethers Dicarboxylic acids and derivatives Carboxylic acid esters Sulfenyl compounds Nitriles Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Aryl thioether - Thiophenol ether - Fatty acid ester - Thia fatty acid - Alkylarylthioether - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Thioether - Carboxylic acid - Carbonitrile - Nitrile - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available