Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Cl)=CC(C=CC(=O)OCC(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1

InChIKey

InChIKey=GMMVFPJAWYBVFU-UHFFFAOYSA-N

Formula

C22H21ClN2O5S

Mass

460.93

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid ester - Coumaric acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Styrene - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Fatty acid ester - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

Previous Back Next