Compound Identification
SMILES
CC1=C(C(C2=CC=CC=C2[N+]([O-])=O)C(C(=O)OCC2CCCCO2)=C(C)N1)C(=O)OCCCN1C(=O)C2=CC=CC=C2S1(=O)=O
InChIKey
InChIKey=YICHFVAUWLREGW-UHFFFAOYSA-N
Formula
C31H33N3O10S
Mass
639.68
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
Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives Oxanes Enoate esters Vinylogous amides Organosulfonic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Dialkylamines Dialkyl ethers Oxacyclic compounds Organic zwitterions Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Oxane - Benzenoid - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Oxacycle - Dialkyl ether - Ether - Enamine - Secondary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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