2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Modify Date: 2022-09-16 22:01:40

2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Structure
2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid structure
Common Name 2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CAS Number 7064-87-1 Molecular Weight 564.71900
Density N/A Boiling Point N/A
Molecular Formula C29H32N4O4S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

 Chemical & Physical Properties

Molecular Formula C29H32N4O4S2
Molecular Weight 564.71900
Exact Mass 564.18600
PSA 164.03000
LogP 4.57628
InChIKey PXBSQRWSXXAIBW-UHFFFAOYSA-N
SMILES CCCCn1c(N2CCC(Cc3ccccc3)CC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O
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