basic_info |
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| Product_Name: | 2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER |
| CAS: | 40713-46-0 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-, METHYL ESTER ; 2-[[(4-HYDROXY-2-METHYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-3-YL)CARBONYL]AMINO]-BENZOIC ACID METHYL ESTER |
| pro_mdlNumber: | MFCD17015539 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccccc3C(=O)OC |
| InChi: | InChI=1S/C18H16N2O6S/c1-20-15(16(21)12-8-4-6-10-14(12)27(20,24)25)17(22)19-13-9-5-3-7-11(13)18(23)26-2/h3-10,21H,1-2H3,(H,19,22) |
| InChiKey: | InChIKey=TVBYGLZNYRZIJD-UHFFFAOYSA-N |
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