AC1OO66C
ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: Oprea1_078716|F2590-0848|ethyl 5-{3-[(4-chlorophenyl)sulfanyl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate|ethyl 5-(3-((4-chlorophenyl)thio)propanamido)-4-cyano-3-methylthiophene-2-carboxylate|ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate|ethyl 5-[3-(p-chlorophenylthio)propionylamino]-4-cyano-3-methyl-2-thenoate
| Molecular Formula | C18H17ClN2O3S2 |
|---|---|
| Molecular Weight | 408.03693 g/mol |
| LogP | 4.8792 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03693 |
| Monoisotopic Mass | 408.03693 |
| Heavy Atoms | 26 |
| Complexity | 841.3565 |
Chemical Identifiers
| CAS Number | 896325-59-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C#N)C |
Product Overview
AC1OO66C (CAS 896325-59-0), with molecular formula C18H17ClN2O3S2 and molecular weight 408.03693 g/mol. IUPAC: ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate.
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