Compound Identification
SMILES
CCOC1=CC=C(\C=C(/N2C=CC=CC2=C(C#N)C#N)C(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=XCOJUKQUKDGVBR-STZFKDTASA-N
Formula
C23H17N3O2S
Mass
399.47
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
Phenoxy compounds Phenol ethers Aryl ketones Alkyl aryl ethers Dihydropyridines Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Alpha-amino ketones Thiophenes Enones Heteroaromatic compounds Trialkylamines Azacyclic compounds Nitriles Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenol ether - Phenoxy compound - Aryl ketone - Alkyl aryl ether - Dihydropyridine - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Hydropyridine - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Alpha-aminoketone - Enone - Heteroaromatic compound - Thiophene - Ketone - Tertiary aliphatic amine - Tertiary amine - Allylamine - Enamine - Azacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen 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