AC1LT8ED
propan-2-yl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-isopropyl 2-(2-cyano-3-(furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methylethyl 2-((2E)-2-cyano-3-(2-furyl)prop-2-enoylamino)-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate|propan-2-yl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-{[(2E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11438 g/mol |
| LogP | 4.33078 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11438 |
| Monoisotopic Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 916.67377 |
Chemical Identifiers
| CAS Number | 488705-72-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CO3)/C#N |
Product Overview
AC1LT8ED (CAS 488705-72-2), with molecular formula C20H20N2O4S and molecular weight 384.11438 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.