Compound Identification
SMILES
COC(=O)C1=C(\C=C2/C(=O)NC(=S)N(C2=O)C2=CC=C(F)C=C2)C2=CC=CC=C2N1
InChIKey
InChIKey=UTSXTFBMAFSULH-XNTDXEJSSA-N
Formula
C21H14FN3O4S
Mass
423.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
N-phenylthioureas Thiobarbituric acid derivatives Indoles Pyrrole carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Substituted pyrroles Diazinanes Heteroaromatic compounds Methyl esters Thioureas Azacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - N-phenylthiourea - Thiobarbiturate - Indole - Pyrrole-2-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Thiourea - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available