Compound Identification
SMILES
O.COC(=O)C1=C(C)NC(CSCCCNC(=O)C(F)(F)F)=C(C1C1=CC=CC=C1Cl)C(=O)OC.COC(=O)C1=C(C)NC(CSCCCNC(=O)C(F)(F)F)=C(C1C1=CC=CC=C1Cl)C(=O)OC
InChIKey
InChIKey=BNXLJIOOIQKUSX-UHFFFAOYSA-N
Formula
C44H50Cl2F6N4O11S2
Mass
1059.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Enamines Dialkylthioethers Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Sulfenyl compound - Enamine - Dialkylthioether - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Amine - Organofluoride - Alkyl halide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available