Compound Identification
SMILES
COC1=CC2=C(C=C1)N(CCC(C)C)\C(S2)=C(/C#N)C(=O)OCCOC(=O)C=C
InChIKey
InChIKey=DUCCWEJPIWDRFV-SILNSSARSA-N
Formula
C21H24N2O5S
Mass
416.49
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
Anisoles Aryl thioethers Alkyl aryl ethers Vinylogous thioesters Acrylic acid esters Dicarboxylic acids and derivatives Vinylogous amides Thiazoles Enoate esters Tertiary amines Amino acids and derivatives Ketene acetals Nitriles Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzo-thiazole - 1,2-benzothiazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Acrylic acid ester - Vinylogous thioester - Benzenoid - Acrylic acid or derivatives - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Nitrile - Ether - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - 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