CBMicro_037959
ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBMicro_037959|ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.11807 g/mol |
| LogP | 4.14014 |
| Topological Polar Surface Area | 86.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.11807 |
| Monoisotopic Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1075.6006 |
Chemical Identifiers
| CAS Number | 5933-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N=C(S4)N)C |
Product Overview
CBMicro_037959 (CAS 5933-69-7), with molecular formula C21H23N3O3S2 and molecular weight 429.11807 g/mol. IUPAC: ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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