basic_info |
|
| Product_Name： | OTAVA-BB 1219357 |
| EnglishSynonyms： | OTAVA-BB 1219357 |
| pro_mdlNumber： | MFCD04197391 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CCC(N1C(=S)S\C(=C/C2=CC=CN2C)C1=O)C(O)=O |
| InChi： | InChI=1S/C13H14N2O3S2/c1-3-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-4-6-14(8)2/h4-7,9H,3H2,1-2H3,(H,17,18)/b10-7- |
| InChiKey： | InChIKey=XTGUPMZDWXYAEP-YFHOEESVSA-N |
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