Compound Identification
SMILES
COC1=CC=C(C=CC(=O)C(C(N)=O)=C2SCS2)C=C1
InChIKey
InChIKey=OYAMTKWKIXRQKE-UHFFFAOYSA-N
Formula
C14H13NO3S2
Mass
307.38
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Vinylogous thioesters Fatty amides Acryloyl compounds Enones Primary carboxylic acid amides Dithietanes Ketene acetals Ketones Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Fatty amide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Fatty acyl - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Primary carboxylic acid amide - Ketene acetal or derivatives - Ketone - Carboxamide group - Dithietane - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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