AC1O00P7
ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
Also Known As: (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate|ethyl 4-({2-[cyano(N-phenylcarbamoyl)methylene]-3-(2-methylphenyl)-4-oxo-1,3-t hiazolidin-5-yl}methyl)benzoate|ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate|ethyl 4-{[(2Z)-2-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl}benzoate
| Molecular Formula | C29H25N3O4S |
|---|---|
| Molecular Weight | 511.1566 g/mol |
| LogP | 5.2367 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.1566 |
| Monoisotopic Mass | 511.1566 |
| Heavy Atoms | 37 |
| Complexity | 1394.654 |
Chemical Identifiers
| CAS Number | 577989-87-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(/C(=C(\C#N)/C(=O)NC3=CC=CC=C3)/S2)C4=CC=CC=C4C |
Product Overview
AC1O00P7 (CAS 577989-87-8), with molecular formula C29H25N3O4S and molecular weight 511.1566 g/mol. IUPAC: ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.