Compound Identification
SMILES
COCCN1\C(SC2=CC=CC=C12)=C(/C#N)C(=O)OCCCCOC(=O)C=C
InChIKey
InChIKey=KKNZBUCBYYNLRS-CYVLTUHYSA-N
Formula
C20H22N2O5S
Mass
402.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Aryl thioethers Vinylogous thioesters Acrylic acid esters Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Thiazoles Enoate esters Amino acids and derivatives Tertiary amines Ketene acetals Dialkyl ethers Azacyclic compounds Nitriles Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzo-thiazole - 1,2-benzothiazole - Aryl thioether - Benzenoid - Vinylogous thioester - Dicarboxylic acid or derivatives - Acrylic acid ester - Thiazole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Acrylic acid or derivatives - Enoate ester - Tertiary amine - Ketene acetal or derivatives - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available