Structure Information
Structure

Compound Identification

SMILES

CC[NH+]1CCC2=C(C1)SC(NC(=O)\C=C/C1=CC=C(C=C1)[N+]([O-])=O)=C2C(=O)OC

InChIKey

InChIKey=OEKOVXMRCFLINQ-TWGQIWQCSA-O

Formula

C20H22N3O5S

Mass

416.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid amide - Nitrobenzene - Thienopyridine - Nitroaromatic compound - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Vinylogous amide - Thiophene - Methyl ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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