68297427 -OEChem-04182409492D 92 97 0 1 0 0 0 0 0999 V2000 4.6783 4.3403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8551 -2.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5005 -5.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9094 -2.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1185 -4.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 5.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5983 -3.2433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -1.6606 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2564 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4643 -2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3779 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1869 -2.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4824 -4.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3959 -4.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1004 -2.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2050 -3.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6914 -6.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8049 -1.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2230 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 6.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6427 -1.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8730 -1.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2564 -1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 2.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 2.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 1.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 1.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 0.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 2.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 3.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 1.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 1.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4519 -1.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8819 0.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 2.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 2.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0719 1.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1221 -1.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9808 -4.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 4.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2988 2.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0719 3.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2249 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3270 -5.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1899 -6.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0559 -6.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4215 -1.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7401 -0.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1883 -1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6064 -5.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2878 -5.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8396 -5.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 6.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 6.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 5.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 44 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 4 33 1 0 0 0 0 5 26 1 0 0 0 0 5 38 1 0 0 0 0 6 30 1 0 0 0 0 6 41 1 0 0 0 0 7 31 1 0 0 0 0 7 42 1 0 0 0 0 8 32 1 0 0 0 0 8 43 1 0 0 0 0 9 34 1 0 0 0 0 9 48 1 0 0 0 0 10 18 2 0 0 0 0 11 40 2 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 13 18 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 21 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 20 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 22 1 0 0 0 0 21 64 1 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 27 2 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 27 68 1 0 0 0 0 28 31 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 35 39 2 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 45 47 2 0 0 0 0 46 49 1 0 0 0 0 46 86 1 0 0 0 0 47 50 1 0 0 0 0 47 87 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 48 90 1 0 0 0 0 49 50 2 0 0 0 0 49 91 1 0 0 0 0 50 92 1 0 0 0 0 M END > 68297427 > 1 > 1030 > 11 > 0 > 17 > AAADcfB/PABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6Afw8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]hexoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]hexoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[6-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]hexoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C39H42N2O8S/c1-42-30-16-14-25(32-24-29(41-49-32)27-22-35(44-3)38(46-5)36(23-27)45-4)20-34(30)48-19-11-7-6-10-18-47-31-17-15-26(21-33(31)43-2)39-40-28-12-8-9-13-37(28)50-39/h8-9,12-17,20-23,32H,6-7,10-11,18-19,24H2,1-5H3 > JMBJCFGKQBSWFI-UHFFFAOYSA-N > 8.4 > 698.26618748 > C39H42N2O8S > 698.8 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCCOC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCCOC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC > 127 > 698.26618748 > 0 > 50 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 40 8 1 44 8 11 40 8 11 45 8 12 14 3 14 21 8 14 24 8 21 22 8 22 26 8 23 28 8 23 29 8 24 27 8 26 27 8 28 31 8 29 30 8 30 32 8 31 32 8 33 34 8 33 35 8 34 37 8 35 39 8 36 37 8 36 39 8 44 45 8 44 46 8 45 47 8 46 49 8 47 50 8 49 50 8 $$$$