Compound Identification
SMILES
OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=C(C=C2)N1CCOCC1
InChIKey
InChIKey=ZFHMZAGFUQFFEJ-UHFFFAOYSA-N
Formula
C22H18F3N3O3S
Mass
461.46
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
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
3-alkylindoles Alpha amino acids and derivatives N-alkylindoles Benzothiazoles Dialkylarylamines Morpholines Benzenoids Aryl fluorides Substituted pyrroles Heteroaromatic compounds Thiazoles Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Indole - 1,3-benzothiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Morpholine - Aryl fluoride - Oxazinane - Substituted pyrrole - Aryl halide - Benzenoid - Thiazole - Pyrrole - Heteroaromatic compound - Azole - Amino acid - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors
Not available