-ISIS- 08251614012D 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 -0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7417 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8625 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3167 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 2.7750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 3.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3167 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 7 2 0 0 0 0 17 21 1 0 0 0 0 18 8 1 0 0 0 0 19 10 2 0 0 0 0 20 14 2 0 0 0 0 21 18 2 0 0 0 0 22 15 1 0 0 0 0 23 10 1 0 0 0 0 24 5 1 0 0 0 0 25 17 1 0 0 0 0 26 30 1 0 0 0 0 27 20 1 0 0 0 0 28 14 1 0 0 0 0 29 20 1 0 0 0 0 30 32 1 0 0 0 0 31 26 1 0 0 0 0 32 23 1 0 0 0 0 33 27 1 0 0 0 0 34 31 1 0 0 0 0 35 28 2 0 0 0 0 36 35 1 0 0 0 0 4 2 2 0 0 0 0 9 12 1 0 0 0 0 17 15 2 0 0 0 0 36 29 2 0 0 0 0 M END > (STK082049) STK082049 > (STK082049) 9 > (STK082049) 5.355 > (STK082049) 89.93 > (STK082049) 1 > (STK082049) 4 > (STK082049) 4 > (STK082049) 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate > (STK082049) 574.51 > (STK082049) C28H29BrFNO4S > (STK082049) CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC $$$$