68297563 -OEChem-05102419072D 80 85 0 1 0 0 0 0 0999 V2000 4.6783 0.7333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8551 0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -3.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5005 3.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9094 0.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1185 2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5983 1.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -0.0714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.2564 0.0331 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 15.4643 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3779 1.4180 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 14.2619 -1.8035 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 17.1869 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4824 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3959 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1004 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2050 2.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8049 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2230 3.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5996 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2564 -0.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8730 -0.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8819 -1.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1221 0.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9808 2.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -3.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -1.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -1.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 -4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 -4.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2988 -4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0559 4.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1899 4.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3270 3.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 -0.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7401 -0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4215 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8396 3.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2878 4.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6064 3.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 3.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 2.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 40 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 27 1 0 0 0 0 4 23 1 0 0 0 0 4 31 1 0 0 0 0 5 24 1 0 0 0 0 5 37 1 0 0 0 0 6 25 1 0 0 0 0 6 38 1 0 0 0 0 7 26 1 0 0 0 0 7 39 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 32 1 0 0 0 0 9 46 1 0 0 0 0 10 15 2 0 0 0 0 11 34 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 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 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 22 2 0 0 0 0 18 51 1 0 0 0 0 19 23 2 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 21 24 2 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 2 0 0 0 0 29 35 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 30 36 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 33 62 1 0 0 0 0 35 36 2 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 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 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 42 74 1 0 0 0 0 43 45 1 0 0 0 0 43 75 1 0 0 0 0 44 45 2 0 0 0 0 44 76 1 0 0 0 0 45 77 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 M END > 68297563 > 1 > 963 > 11 > 0 > 13 > AAADcfB/PABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6Afw8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]ethoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]ethoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]ethoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]ethoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]ethoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]ethoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C35H34N2O8S/c1-38-26-12-10-21(28-20-25(37-45-28)23-18-31(40-3)34(42-5)32(19-23)41-4)16-30(26)44-15-14-43-27-13-11-22(17-29(27)39-2)35-36-24-8-6-7-9-33(24)46-35/h6-13,16-19,28H,14-15,20H2,1-5H3 > LVJGNFJNTXIZQJ-UHFFFAOYSA-N > 6.9 > 642.20358722 > C35H34N2O8S > 642.7 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCOC4=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)OCCOC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC > 127 > 642.20358722 > 0 > 46 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 34 8 1 40 8 11 34 8 11 41 8 12 14 3 14 17 8 14 18 8 16 20 8 16 21 8 17 19 8 18 22 8 19 23 8 20 25 8 21 24 8 22 23 8 24 26 8 25 26 8 29 32 8 29 35 8 30 33 8 30 36 8 32 33 8 35 36 8 40 41 8 40 42 8 41 43 8 42 44 8 43 45 8 44 45 8 $$$$