basic_info |
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Product_Name: | 2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID |
EnglishSynonyms: | 2-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID |
pro_mdlNumber: | MFCD06623275 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1cc(c(n1c2c(c3c(s2)CCCC3)C(=O)O)C)C=O |
InChi: | InChI=1S/C16H17NO3S/c1-9-7-11(8-18)10(2)17(9)15-14(16(19)20)12-5-3-4-6-13(12)21-15/h7-8H,3-6H2,1-2H3,(H,19,20) |
InChiKey: | InChIKey=YJSXRWPPIARAEQ-UHFFFAOYSA-N |
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