Compound Identification
SMILES
O=C(SC1CCCCC1)C=CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=KQRQGSFAJQNSQZ-UHFFFAOYSA-N
Formula
C16H17NOS
Mass
271.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Benzonitriles Thioesters Carbothioic S-esters Sulfenyl compounds Nitriles Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzonitrile - Styrene - Monocyclic benzene moiety - Benzenoid - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available