AC1LRBLE
4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872043|4-{4-OXO-2-SULFANYLIDENE-5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLIDIN-3-YL}BUTANOIC ACID|4-[4-OXO-2-THIOXO-5-(3,4,5-TRIMETHOXY-BENZYLIDENE)-THIAZOLIDIN-3-YL]-BUTY+|4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid|4-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C17H19NO6S2 |
|---|---|
| Molecular Weight | 397.06537 g/mol |
| LogP | 2.7784 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.06537 |
| Monoisotopic Mass | 397.06537 |
| Heavy Atoms | 26 |
| Complexity | 736.6152 |
Chemical Identifiers
| CAS Number | 301688-72-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
AC1LRBLE (CAS 301688-72-2), with molecular formula C17H19NO6S2 and molecular weight 397.06537 g/mol. IUPAC: 4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid.
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