Compound Identification
SMILES
[O-][N+](=O)C1=C(NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2)C=C(Cl)C=C1
InChIKey
InChIKey=LGROTYWIMKVYAE-UHFFFAOYSA-N
Formula
C18H12ClN3O5S
Mass
417.82
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
Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Chlorobenzenes Fatty acid esters Aryl chlorides Thiazoles Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Anilide - 1,3-benzothiazole - N-arylamide - Nitroaromatic compound - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Azole - Enoate ester - Thiazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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