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
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
Azaspirodecane derivatives N-acylpiperidines Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides Styrenes Nitroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
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