54737220 -OEChem-03292408552D 46 49 0 1 0 0 0 0 0999 V2000 4.8601 1.7203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 -2.4583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -1.8162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7659 -1.1982 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 1.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -0.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7096 -0.9243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3759 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0315 0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3286 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 -0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0421 -2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1216 -1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6302 -2.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 1.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3163 -0.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -1.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9154 -1.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5797 -0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 0.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8509 1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0889 1.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5798 -2.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 -2.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5045 -2.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5347 -1.4661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5839 -0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7085 -0.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 -1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 -2.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0432 -2.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -1.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 0.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 2.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 25 1 0 0 0 0 5 46 1 0 0 0 0 6 26 2 0 0 0 0 7 15 1 0 0 0 0 7 21 2 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 M END > 54737220 > 1 > 660 > 7 > 2 > 1 > AAADceB7MYBAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAFix+AAAHwQQCAAADwyB3hACwdLIEgisAyVyVACD0KBhKDgAmDQwTNgIJmLg0NGEdAxm1AHo2QeQ0PIPgAAAAAAAAAAQAAQAAAQAAAAAAAAAAA== > 6-tert-butyl-15-hydroxy-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > 6-tert-butyl-15-hydroxy-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > 6-tert-butyl-15-hydroxy-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > 6-tert-butyl-15-hydroxy-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > 6-tert-butyl-15-oxidanyl-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > 6-tert-butyl-15-hydroxy-9-(trifluoromethyl)-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),14-pentaen-13-one > InChI=1S/C19H19F3N2O2S/c1-18(2,3)8-4-5-10-9(6-8)14(19(20,21)22)13-15-16(27-17(13)23-10)11(25)7-12(26)24-15/h7-8H,4-6H2,1-3H3,(H2,24,25,26) > XBJAEMNPPIHSGW-UHFFFAOYSA-N > 4.6 > 396.11193351 > C19H19F3N2O2S > 396.4 > CC(C)(C)C1CCC2=C(C1)C(=C3C4=C(C(=CC(=O)N4)O)SC3=N2)C(F)(F)F > CC(C)(C)C1CCC2=C(C1)C(=C3C4=C(C(=CC(=O)N4)O)SC3=N2)C(F)(F)F > 90.5 > 396.11193351 > 0 > 27 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 8 1 24 8 14 15 8 14 19 8 19 20 8 20 21 8 20 23 8 23 24 8 24 25 8 25 27 8 26 27 8 7 15 8 7 21 8 8 23 8 8 26 8 9 10 3 $$$$