Compound Identification
SMILES
CC(C)(O)C#CC1=CC=C(\C=C(/C#N)C(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=IFFCGJWMXAZESO-FOWTUZBSSA-N
Formula
C19H15NO2S
Mass
321.39
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
Aryl ketones Ynones Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Thiophenes Tertiary alcohols Heteroaromatic compounds Enones Acryloyl compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Ynone - Acryloyl-group - Enone - Tertiary alcohol - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic 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