Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(\C=C\C(=O)N2CCC3(CC2)SCCN3C(=O)C2=CC=CS2)C=C1

InChIKey

InChIKey=QDSAPUUWQYOAJO-VMPITWQZSA-N

Formula

C21H21N3O4S2

Mass

443.54

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Azaspirodecane - N-acyl-piperidine - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Styrene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Piperidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Thiophene - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Hemithioaminal - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Dialkylthioether - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic oxide - Organic cation - 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

Previous Back Next