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0 0 0 0 0 7.7619 1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 5.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -5.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 6.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4436 6.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5481 7.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8255 7.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 7.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -7.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -7.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -9.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -9.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 6.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0346 9.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -9.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7056 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -3.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -2.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -3.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -4.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -1.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -5.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -4.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -0.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -5.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -6.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 5.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9451 5.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -6.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 -0.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -9.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -9.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9062 6.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7722 6.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 7.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 7.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 7.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 6.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 9.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 9.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 8.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -9.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -9.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -8.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -9.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 43 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 37 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 45 1 0 0 0 0 9 35 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 44 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 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 38 1 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 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 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 44 1 0 0 0 0 43 46 2 0 0 0 0 44 47 2 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 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 > 68297484 > 1 > 1030 > 11 > 0 > 17 > AAADcfB/PABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6Afw8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]hexoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]hexoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[6-[5-(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-[5-(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)20-33(30)47-18-10-6-7-11-19-48-34-21-26(15-17-31(34)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 > CWDSGOJNQDFVBQ-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=CC(=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=CC(=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 43 8 11 40 8 11 44 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 36 8 35 38 8 36 39 8 38 39 8 43 44 8 43 46 8 44 47 8 46 49 8 47 50 8 49 50 8 $$$$