Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(O)=C1C(N(C2=NC3=C(S2)C=C(OCC)C=C3)C(=O)C1=O)C1=CC=NC=C1
InChIKey
InChIKey=WTBUHANCDRKANZ-UHFFFAOYSA-N
Formula
C27H23N3O5S
Mass
501.56
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
Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Thiazoles Tertiary carboxylic acid amides Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - Benzenoid - 3-pyrrolidone - Azole - Heteroaromatic compound - Pyrrolidine - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Lactam - Ketone - Carboxamide group - Cyclic ketone - Ether - Enol - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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