Compound Identification
SMILES
COC1=CC(\C=C(/C#N)C(=O)CC2=CC3=CC=CC=C3S2)=CC(OC)=C1OC
InChIKey
InChIKey=XFRQNGVSOVETPM-LZYBPNLTSA-N
Formula
C22H19NO4S
Mass
393.46
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
1-benzothiophenes Phenoxy compounds Methoxybenzenes Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Ketones Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzothiophene - 1-benzothiophene - Anisole - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Acryloyl-group - Enone - Ketone - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organic oxide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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