Diethyl 2-dimethylamino-5-(4-methylbenzylthio)-2,4-hexadienedioate

HCID 53847987
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(=CC=C(C(=O)OCC)N(C)C)SCc1ccc(C)cc1
InChIKey
GNSUTCMSPBDHPZ-UHFFFAOYSA-N
Molecular formula
C20H27NO4S
Average molar mass
377.5 g/mol
Monoisotopic mass
377.16607952

Names & identifiers

Preferred name
Diethyl 2-dimethylamino-5-(4-methylbenzylthio)-2,4-hexadienedioate
IUPAC
diethyl 2-(dimethylamino)-5-[(4-methylphenyl)methylsulfanyl]hexa-2,4-dienedioate

Names & synonyms

SCHEMBL10419351GNSUTCMSPBDHPZ-UHFFFAOYSA-Ndiethyl 2-dimethylamino-5-(4-methylbenzylthio)-2,4-hexadienedioate

Database identifiers

PubChem CID
53847987

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
26

Related reactions

3 records
New reaction record

Linked notes

Loading…