AC1NE1KY
ethyl 2-[2-(5-nitrothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-2939|(Z)-ethyl 2-(2-((5-nitrothiophene-2-carbonyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate|ethyl 2-[(2Z)-2-[(5-nitrothiophene-2-carbonyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate|ethyl 2-[2-(5-nitrothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate|Ethyl 2-[2-(5-nitrothiophene-2-carbonyl)imino-6-sulfamoyl-benzothiazol-3-yl]acetate
| Molecular Formula | C16H14N4O7S3 |
|---|---|
| Molecular Weight | 470.00247 g/mol |
| LogP | 1.6241 |
| Topological Polar Surface Area | 163.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.00247 |
| Monoisotopic Mass | 470.00247 |
| Heavy Atoms | 30 |
| Complexity | 1334.3003 |
Chemical Identifiers
| CAS Number | 865247-75-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
AC1NE1KY (CAS 865247-75-2), with molecular formula C16H14N4O7S3 and molecular weight 470.00247 g/mol. IUPAC: ethyl 2-[2-(5-nitrothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
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