Compound Identification
SMILES
O[C@@H](CC1=CC=CC(=C1)C1=NC2=C(S1)C=CC(Cl)=C2)\C=C\[C@H]1CCC(=O)N1CCSC1=NC(=CS1)C(O)=O
InChIKey
InChIKey=COBKGDMIGLRUQR-CNIPWFDFSA-N
Formula
C27H24ClN3O4S3
Mass
586.14
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
Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers Pyrrolidine-2-ones Aryl chlorides Benzene and substituted derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Lactams Carboxylic acids Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Secondary alcohol - Carboxamide group - Lactam - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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