basic_info |
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| Product_Name: | ETHYL 2-[[2-(1-ADAMANTYL)ACETYL]AMINO]-6-ETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE |
| EnglishSynonyms: | ETHYL 2-[[2-(1-ADAMANTYL)ACETYL]AMINO]-6-ETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE |
| pro_mdlNumber: | MFCD02243087 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | CCC1CCc2c(sc(c2C(=O)OCC)NC(=O)C[C@]34C[C@@H]5C[C@H](C3)C[C@@H](C5)C4)C1 |
| InChi: | InChI=1S/C25H35NO3S/c1-3-15-5-6-19-20(10-15)30-23(22(19)24(28)29-4-2)26-21(27)14-25-11-16-7-17(12-25)9-18(8-16)13-25/h15-18H,3-14H2,1-2H3,(H,26,27)/t15?,16-,17+,18-,25- |
| InChiKey: | InChIKey=NTIJTZCGNMAUBY-NTBQFNCVSA-N |
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