basic_info |
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| Product_Name: | 1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-1-METHYL-5-OXO-4-((4-(PHENYL THIO)PHENYL)AMINO)-, ETHYL ESTER |
| CAS: | 77711-87-6 |
| EnglishSynonyms: | 1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-1-METHYL-5-OXO-4-((4-(PHENYL THIO)PHENYL)AMINO)-, ETHYL ESTER |
| pro_mdlNumber: | MFCD01688471 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CCOC(=O)C1=C(C(=O)N(C1)C)Nc2ccc(cc2)Sc3ccccc3 |
| InChi: | InChI=1S/C20H20N2O3S/c1-3-25-20(24)17-13-22(2)19(23)18(17)21-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12,21H,3,13H2,1-2H3 |
| InChiKey: | InChIKey=YTPNBTOTLNRARN-UHFFFAOYSA-N |
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