basic_info |
|
| Product_Name： | AURORA 4399 |
| EnglishSynonyms： | AURORA 4399 |
| pro_mdlNumber： | MFCD01847844 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CCOC(=O)C1=C(NC(=O)COC2=CC=C(Br)C(C)=C2)SC2=C1CCC2 |
| InChi： | InChI=1S/C19H20BrNO4S/c1-3-24-19(23)17-13-5-4-6-15(13)26-18(17)21-16(22)10-25-12-7-8-14(20)11(2)9-12/h7-9H,3-6,10H2,1-2H3,(H,21,22) |
| InChiKey： | InChIKey=QBFFFKNVBXVXDA-UHFFFAOYSA-N |
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