Compound Identification
SMILES
COC1=CC2=C(NC(C)(C)C(=S)C2=C2SC(C(C)=O)=C(S2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=CEGRGVVMJBBEEU-UHFFFAOYSA-N
Formula
C23H21NO2S3
Mass
439.61
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
Hydroquinolines Anisoles Secondary alkylarylamines Alkyl aryl ethers Vinylogous thioesters Benzene and substituted derivatives 1,3-dithioles Thioketones Thioenol ethers Ketones Ketene acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Tetrahydroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - 1,3-dithiole - Dithiole - Thioketone - Thioenolether - Ketene acetal or derivatives - Ketone - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Thiocarbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - 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