basic_info |
|
| Product_Name： | EMD 53998 |
| CAS： | 120223-04-3 |
| EnglishSynonyms： | EMD 53998 ; 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE |
| pro_mdlNumber： | MFCD00884699 |
| pro_acceptors： | 7 |
| pro_donors： | 1 |
| pro_smile： | CC1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC |
| InChi： | InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27) |
| InChiKey： | InChIKey=IZLRMTJLQCLMKF-UHFFFAOYSA-N |
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