AC1NT0BG
2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: BAS 00871928|AB00095750-01|SR-01000218992-1|F0393-0697|2-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-4-(METHYLSULFANYL)BUTANOIC ACID|(E)-2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-(methylthio)butanoic acid|2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid|2-[(5E)-5-(3,4-DIMETHOXYBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]-4-(METHYLSULFANYL)BUTANOIC ACID|2-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-4- methylthiobutanoic acid
| Molecular Formula | C17H19NO5S3 |
|---|---|
| Molecular Weight | 413.04254 g/mol |
| LogP | 3.1113 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.04254 |
| Monoisotopic Mass | 413.04254 |
| Heavy Atoms | 26 |
| Complexity | 749.91394 |
Chemical Identifiers
| CAS Number | 307342-69-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C(CCSC)C(=O)O)OC |
Product Overview
AC1NT0BG (CAS 307342-69-4), with molecular formula C17H19NO5S3 and molecular weight 413.04254 g/mol. IUPAC: 2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid.