Compound Identification
SMILES
COC1=C(C)C2=C(CSC[C@H](NC(=S)C[C@@H](CO)OC2=O)C2=NC(C)=NO2)C(O)=C1
InChIKey
InChIKey=DELYZRLCRAHIHW-AAEUAGOBSA-N
Formula
C19H23N3O6S2
Mass
453.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
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Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Thiolactams 1,2,4-oxadiazoles Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organopnictogen compounds Thiocarbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiolactam - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Thioether - Organoheterocyclic compound - Dialkylthioether - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Organooxygen compound - Organosulfur compound - Primary alcohol - Thiocarbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available