2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HCID 11675833

Basic information

Standard SMILES
CCOC(=O)C1=C(C)NC(CS)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
MEVHWDXEYXJOCX-UHFFFAOYSA-N
Molecular formula
C19H22N2O6S
Average molar mass
406.5 g/mol
Monoisotopic mass
406.1198576

Names & identifiers

Preferred name
2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine
IUPAC
diethyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL7286872MEVHWDXEYXJOCX-UHFFFAOYSA-N2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl) -6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-2-mercaptomethyl-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-(mercaptome-thyl) -4-(m-nitrophenyl)-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-mercaptomethyl-4-(m-nitrophenyl)-1,4-dihydropyridine

Database identifiers

PubChem CID
11675833

Properties

Computed structural properties

XLogP
3
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
28

Related reactions

20 records

Linked notes

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