Compound Identification
SMILES
CCOCCCN=C1SCC(C)(C)N1C(=O)C=CC1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=IPBNVQJPZUYKIW-UHFFFAOYSA-N
Formula
C21H30N2O4S
Mass
406.54
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
Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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