Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C1=NC2=C(S1)C=CC(Cl)=C2
InChIKey
InChIKey=NKAVKFHIYALHRM-UHFFFAOYSA-N
Formula
C23H27ClN2O7S
Mass
510.99
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 Beta hydroxy acids and derivatives Short-chain hydroxy acids and derivatives Sugar acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Aryl chlorides Heteroaromatic compounds Thiazoles Trialkylamines 1,2-diols Secondary alcohols Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Azole - Heteroaromatic compound - Thiazole - 1,2-diol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organochloride - 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