basic_info |
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Product_Name: | 2-(3-BENZOYLTHIOUREIDO)-5,5-DIMETHYL-5,7-DIHYDRO-4H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID |
CAS: | 314042-01-8 |
EnglishSynonyms: | 2-(3-BENZOYLTHIOUREIDO)-5,5-DIMETHYL-5,7-DIHYDRO-4H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID ; 2-(BENZOYLCARBAMOTHIOYLAMINO)-5,5-DIMETHYL-4,7-DIHYDROTHIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID |
pro_mdlNumber: | MFCD01557530 |
pro_acceptors: | 6 |
pro_donors: | 3 |
pro_smile: | CC1(Cc2c(sc(c2C(=O)O)NC(=S)NC(=O)c3ccccc3)CO1)C |
InChi: | InChI=1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25) |
InChiKey: | InChIKey=ATSWBWHRHAQVFM-UHFFFAOYSA-N |
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