Compound Identification
SMILES
COC1=CC=C(CSC2=C(N(CC3=CC4=C(OCO4)C=C3Cl)C=N2)C(O)=O)C=C1
InChIKey
InChIKey=RSNGAVTVGNTTDU-UHFFFAOYSA-N
Formula
C20H17ClN2O5S
Mass
432.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Carbonylimidazoles Vinylogous thioesters Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Imidazole-4-carbonyl group - Alkylarylthioether - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Acetal - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Thioether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available