AC1NAIDI
methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_010295|HMS616D21|SR-01000010759-1|SR-01000499293-1|F1199-0126|(E)-methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-({[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{2-[2-(azapropylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetylamino }-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H25N3O4S2 |
|---|---|
| Molecular Weight | 423.12866 g/mol |
| LogP | 3.0819 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12866 |
| Monoisotopic Mass | 423.12866 |
| Heavy Atoms | 28 |
| Complexity | 818.3459 |
Chemical Identifiers
| CAS Number | 442564-75-2 |
|---|---|
| SMILES | CCN=C1N(C(=O)C(S1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)CC |
Product Overview
AC1NAIDI (CAS 442564-75-2), with molecular formula C19H25N3O4S2 and molecular weight 423.12866 g/mol. IUPAC: methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.