AC1LJIX6
methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: AK-968/41925936|methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate|methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate|(E)-methyl 4-ethyl-5-methyl-2-(3-(4-nitrophenyl)acrylamido)thiophene-3-carboxylate|methyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-4-ethyl-5-methylthiophene-3 -carboxylate|methyl 4-ethyl-5-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09363 g/mol |
| LogP | 3.96562 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.09363 |
| Monoisotopic Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 868.4518 |
Chemical Identifiers
| CAS Number | 560075-96-9 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
AC1LJIX6 (CAS 560075-96-9), with molecular formula C18H18N2O5S and molecular weight 374.09363 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
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