AC1NYKJO
ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-[(E)-3-phenylprop-2-enoyl]oxychromene-2-carboxylate
Also Known As: (E)-ethyl 3-(benzo[d]thiazol-2-yl)-7-(cinnamoyloxy)-4-oxo-4H-chromene-2-carboxylate|3-benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl (2E)-3-phenylprop-2-e noate|Ethyl 3-benzothiazol-2-yl-4-oxo-7-(3-phenylprop-2-enoyloxy)chromene-2-carboxylate|ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-[(E)-3-phenylprop-2-enoyl]oxychromene-2-carboxylate|ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-{[(2E)-3-phenylprop-2-enoyl]oxy}-4H-chromene-2-carboxylate
| Molecular Formula | C28H19NO6S |
|---|---|
| Molecular Weight | 497.09332 g/mol |
| LogP | 5.8652 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.09332 |
| Monoisotopic Mass | 497.09332 |
| Heavy Atoms | 36 |
| Complexity | 1650.5188 |
Chemical Identifiers
| CAS Number | 637747-75-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
AC1NYKJO (CAS 637747-75-2), with molecular formula C28H19NO6S and molecular weight 497.09332 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-4-oxo-7-[(E)-3-phenylprop-2-enoyl]oxychromene-2-carboxylate.
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