AC1LTOL5
ethyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01321105|F0709-0044|(E)-ethyl 2-(2-cyano-3-(4-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ETHYL 2-[(2E)-2-CYANO-3-(4-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate|ethyl 2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10455 g/mol |
| LogP | 4.25748 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.10455 |
| Monoisotopic Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 1063.5464 |
Chemical Identifiers
| CAS Number | 305375-03-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C#N |
Product Overview
AC1LTOL5 (CAS 305375-03-5), with molecular formula C21H19N3O5S and molecular weight 425.10455 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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