Compound Identification
SMILES
COC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=YFSHYHLNKSDTRS-UHFFFAOYSA-N
Formula
C17H15ClN2O5S
Mass
394.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Tetrahydropyridines Dicarboxylic acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Methyl esters Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Tetrahydropyridine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Hydropyridine - 1,3-dicarbonyl compound - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available