Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1SC2=NC(C)=C(C(N2C1=O)C1=CC=C(Cl)C=C1)C(=O)OCCOC
InChIKey
InChIKey=ATUGSNUAXHBJDE-UHFFFAOYSA-N
Formula
C31H27ClN2O7S
Mass
607.07
Taxonomic Classification
Taxonomy Tree
-
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 acid esters
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Thiazoles Enoate esters Furans Heteroaromatic compounds Isothioureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Carboxylic acid ester - Isothiourea - Lactam - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available