Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C(=CC2=CC(OC)=C(O)C=C2)C#N)SC(C)=C1
InChIKey
InChIKey=HMSLYHATGMGDGN-UHFFFAOYSA-N
Formula
C18H16N2O5S
Mass
372.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Cinnamic acid amides Methoxyphenols Thiophene carboxylic acids and derivatives Phenoxy compounds N-arylamides Methoxybenzenes 2,3,5-trisubstituted thiophenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Anisole - Phenoxy compound - Methoxybenzene - 2,3,5-trisubstituted thiophene - N-arylamide - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available