AC1O2MD0
4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid
Also Known As: F1063-0254|4-{2-[(5Z)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETAMIDO}-2-HYDROXYBENZOIC ACID|(Z)-4-(2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)-2-hydroxybenzoic acid|4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid|4-(2-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)} acetylamino)-2-hydroxybenzoic acid
| Molecular Formula | C21H18N2O7S2 |
|---|---|
| Molecular Weight | 474.05554 g/mol |
| LogP | 2.9475 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.05554 |
| Monoisotopic Mass | 474.05554 |
| Heavy Atoms | 32 |
| Complexity | 1146.9633 |
Chemical Identifiers
| CAS Number | 681833-35-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC(=C(C=C3)C(=O)O)O)OC |
Product Overview
AC1O2MD0 (CAS 681833-35-2), with molecular formula C21H18N2O7S2 and molecular weight 474.05554 g/mol. IUPAC: 4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid.
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