68297461 -OEChem-05132416362D 83 88 0 1 0 0 0 0 0999 V2000 4.6783 5.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2674 -0.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 2.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 2.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5165 -5.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9616 -5.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3436 -6.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 4.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 6.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0594 -1.9055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.5686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.8228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6686 -1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9255 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9435 -3.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2210 -3.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3255 -4.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0481 -4.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 2.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2391 -5.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -5.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 -4.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 -6.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 6.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 -0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0330 -2.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2056 -1.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6419 0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -0.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8819 0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4451 -3.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6546 -3.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 2.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 2.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 3.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 4.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 3.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 2.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 3.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 5.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8551 -4.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 -4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3508 -5.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1351 -5.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2722 -4.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4062 -4.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1701 -6.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 -7.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8990 -7.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 7.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 7.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 6.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 1 41 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 26 1 0 0 0 0 4 20 1 0 0 0 0 4 32 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 25 1 0 0 0 0 6 39 1 0 0 0 0 7 27 1 0 0 0 0 7 40 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 33 1 0 0 0 0 9 47 1 0 0 0 0 10 15 2 0 0 0 0 11 37 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 0 0 0 0 13 49 1 0 0 0 0 13 50 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 22 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 21 2 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 53 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 27 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 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 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 43 45 1 0 0 0 0 43 77 1 0 0 0 0 44 46 1 0 0 0 0 44 78 1 0 0 0 0 45 46 2 0 0 0 0 45 79 1 0 0 0 0 46 80 1 0 0 0 0 47 81 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 M END > 68297461 > 1 > 979 > 11 > 0 > 14 > AAADcfB/PABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6Afw8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]propoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]propoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]propoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]propoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]propoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]propoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C36H36N2O8S/c1-39-27-13-11-22(29-21-26(38-46-29)24-19-32(41-3)35(43-5)33(20-24)42-4)17-31(27)45-16-8-15-44-28-14-12-23(18-30(28)40-2)36-37-25-9-6-7-10-34(25)47-36/h6-7,9-14,17-20,29H,8,15-16,21H2,1-5H3 > GLKZRBYEYXHHMF-UHFFFAOYSA-N > 7.3 > 656.21923728 > C36H36N2O8S > 656.7 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCOC4=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)OCCCOC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC > 127 > 656.21923728 > 0 > 47 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 37 8 1 41 8 11 37 8 11 42 8 12 14 3 14 17 8 14 18 8 16 22 8 16 23 8 17 19 8 18 21 8 19 20 8 20 21 8 22 25 8 23 24 8 24 27 8 25 27 8 30 33 8 30 34 8 31 35 8 31 36 8 33 35 8 34 36 8 41 42 8 41 43 8 42 44 8 43 45 8 44 46 8 45 46 8 $$$$