Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2=CC=CC=C2I)SC2=C1CCN(C2)C(C)=O
InChIKey
InChIKey=OBOCPLWHQDVHNM-UHFFFAOYSA-N
Formula
C18H17IN2O4S
Mass
484.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Thienopyridines Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organoiodides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Vinylogous halide - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available