16760213 -OEChem-05112404552D 76 80 0 1 0 0 0 0 0999 V2000 2.0000 -1.7742 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.9224 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2263 2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2263 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7980 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2730 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1078 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5827 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3233 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6893 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5363 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6063 2.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 23 1 0 0 0 0 5 70 1 0 0 0 0 6 33 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 21 2 0 0 0 0 17 55 1 0 0 0 0 18 22 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 25 1 0 0 0 0 21 30 1 0 0 0 0 22 25 2 0 0 0 0 22 57 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 31 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 32 2 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 74 1 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 41 76 1 0 0 0 0 M CHG 1 3 -1 M END > 16760213 > 1 > 885 > 5 > 1 > 11 > AAADcfB+MABEAAAAAAAAAAAAGAAAAAAAAAA8YMEAAAAAAACx9AAAHgYACAAADk6F3iCyyPIIEgioAyTyTACCgCAhBzAImCEwbpgIJvLhk5GEcAhkwAHo2AeYwOAPhAACAAISAAAIAAQABCQAAAAAAAAAAA== > 2-[1-[[(1S)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate > 2-[1-[[[(1S)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate > 2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate > 2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate > 2-[1-[[(1S)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate > 2-[1-[[[(1S)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate > InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/p-1/b15-10+/t32-/m0/s1 > UCHDWCPVSPXUMX-OYLFJNDKSA-M > 8.4 > 584.2026178 > C35H35ClNO3S- > 585.2 > CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O > CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O > 98.6 > 584.2026178 > -1 > 41 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 6 15 17 8 15 18 8 17 21 8 18 22 8 19 20 8 19 24 8 20 26 8 21 25 8 22 25 8 24 27 8 26 31 8 27 31 8 33 34 8 34 36 8 35 37 8 35 38 8 36 37 8 37 39 8 38 40 8 39 41 8 40 41 8 6 33 8 6 35 8 $$$$