basic_info |
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| Product_Name: | 2-[(2-CYANOACETYL)AMINO]-4-[4-(METHOXYCARBONYL)PHENYL]-3-THIOPHENECARBOXYLIC ACID ETHYL ESTER |
| CAS: | 944313-95-5 |
| EnglishSynonyms: | 3-THIOPHENECARBOXYLIC ACID, 2-[(2-CYANOACETYL)AMINO]-4-[4-(METHOXYCARBONYL)PHENYL]-, ETHYL ESTER ; 2-[(2-CYANOACETYL)AMINO]-4-[4-(METHOXYCARBONYL)PHENYL]-3-THIOPHENECARBOXYLIC ACID ETHYL ESTER |
| pro_mdlNumber: | MFCD15528103 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | CCOC(=O)c1c(csc1NC(=O)CC#N)c2ccc(cc2)C(=O)OC |
| InChi: | InChI=1S/C18H16N2O5S/c1-3-25-18(23)15-13(10-26-16(15)20-14(21)8-9-19)11-4-6-12(7-5-11)17(22)24-2/h4-7,10H,3,8H2,1-2H3,(H,20,21) |
| InChiKey: | InChIKey=YEGKGMBBZABOSP-UHFFFAOYSA-N |
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