Compound Identification
SMILES
O[C@H]([C@@H](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-LREBCSMRSA-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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Aryl chlorides Thiazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Thiazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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