basic_info |
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Product_Name: | 4-(2,2-DIMETHYL-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)-4-OXOBUTANOIC ACID |
EnglishSynonyms: | 4-(2,2-DIMETHYL-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)-4-OXOBUTANOIC ACID |
pro_mdlNumber: | MFCD16991125 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CC1(CN(c2ccccc2S1)C(=O)CCC(=O)O)C |
InChi: | InChI=1S/C14H17NO3S/c1-14(2)9-15(12(16)7-8-13(17)18)10-5-3-4-6-11(10)19-14/h3-6H,7-9H2,1-2H3,(H,17,18) |
InChiKey: | InChIKey=KMDIAEBDIRLMIF-UHFFFAOYSA-N |
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