Compound Identification
SMILES
CCN1C(=S)S\C(=C/C2=CC(OC)=C(OC(=O)C3=C(Cl)C4=CC=CC=C4S3)C=C2)C1=O
InChIKey
InChIKey=FCSLPZZHKTYNLN-BOPFTXTBSA-N
Formula
C22H16ClNO4S3
Mass
490.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiazolidinethiones Aryl chlorides Vinylogous halides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Tertiary amines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Benzothiophene - 1-benzothiophene - Anisole - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidinethione - Thiophene - Dithiocarbamic acid ester - Thiazolidine - Vinylogous halide - Heteroaromatic compound - Cyclic dithiocarbamic acid ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available