Compound Identification
SMILES
C[C@@H](OC1=CC=C(F)C=C1)C1=NN=C(O1)S[C@@H](C)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=BCWURSPPWIUTEK-OLZOCXBDSA-N
Formula
C21H18FN3O3S
Mass
411.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Aryl alkyl ketones Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds 1,3,4-oxadiazoles Vinylogous amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Phenoxy compound - Aryl thioether - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - Pyrrole - Ketone - Sulfenyl compound - Thioether - Azacycle - Oxacycle - Ether - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Aldehyde - Organohalogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available