Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(F)C=C2)C(Br)=CC(\C=C2/SC(=NC3=CC=CC(=C3)C(O)=O)N(C)C2=O)=C1
InChIKey
InChIKey=XUMHQDFFTVREEA-PNCBHTNFSA-N
Formula
C27H22BrFN2O5S
Mass
585.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Thiazolidines Isothioureas Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Fluorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available