basic_info |
|
| Product_Name： | AURORA 5891 |
| EnglishSynonyms： | AURORA 5891 |
| pro_mdlNumber： | MFCD00729594 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | COC1=CC=C(OCC(=O)NC2=C(C(N)=O)C3=C(CCCC3)S2)C=C1 |
| InChi： | InChI=1S/C18H20N2O4S/c1-23-11-6-8-12(9-7-11)24-10-15(21)20-18-16(17(19)22)13-4-2-3-5-14(13)25-18/h6-9H,2-5,10H2,1H3,(H2,19,22)(H,20,21) |
| InChiKey： | InChIKey=CPQRVQPLUUZMCK-UHFFFAOYSA-N |
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