68297540 -OEChem-04262419312D 86 91 0 1 0 0 0 0 0999 V2000 4.6783 3.9072 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3551 -2.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 2.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4094 -1.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0005 -5.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6185 -3.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 4.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0983 -2.8103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -1.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7564 -1.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9643 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8779 -2.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9824 -3.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6869 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6004 -2.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8959 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7050 -3.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3049 -0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1914 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7230 -4.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3730 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7564 -0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 -0.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3819 0.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 1.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 0.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 1.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 1.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 1.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4808 -4.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6221 -1.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 2.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 2.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 1.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 2.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7249 3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 4.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9215 -0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2401 -0.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 -1.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8270 -5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6899 -6.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5559 -6.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1064 -4.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7878 -5.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3396 -4.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 6.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 6.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 5.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 42 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 20 1 0 0 0 0 4 34 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 27 1 0 0 0 0 6 39 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 30 1 0 0 0 0 8 41 1 0 0 0 0 9 32 1 0 0 0 0 9 48 1 0 0 0 0 10 15 2 0 0 0 0 11 38 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 22 2 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 25 27 2 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 28 30 2 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 37 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 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 43 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 44 46 1 0 0 0 0 44 80 1 0 0 0 0 45 47 1 0 0 0 0 45 81 1 0 0 0 0 46 47 2 0 0 0 0 46 82 1 0 0 0 0 47 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 48 86 1 0 0 0 0 M END > 68297540 > 1 > 994 > 11 > 0 > 15 > AAADcfB/PABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6Afw8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C37H38N2O8S/c1-40-28-14-12-23(30-22-27(39-47-30)25-20-33(42-3)36(44-5)34(21-25)43-4)18-32(28)46-17-9-8-16-45-29-15-13-24(19-31(29)41-2)37-38-26-10-6-7-11-35(26)48-37/h6-7,10-15,18-21,30H,8-9,16-17,22H2,1-5H3 > JLBOQOZJWONTJB-UHFFFAOYSA-N > 7.6 > 670.23488735 > C37H38N2O8S > 670.8 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCOC4=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)OCCCCOC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC > 127 > 670.23488735 > 0 > 48 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 38 8 1 42 8 11 38 8 11 43 8 12 14 3 14 17 8 14 18 8 16 24 8 16 25 8 17 19 8 18 22 8 19 20 8 20 22 8 24 28 8 25 27 8 27 30 8 28 30 8 31 32 8 31 35 8 32 36 8 33 36 8 33 37 8 35 37 8 42 43 8 42 44 8 43 45 8 44 46 8 45 47 8 46 47 8 $$$$