66525574 -OEChem-05092409422D 69 72 0 0 0 0 0 0 0999 V2000 5.5443 2.0368 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6279 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6279 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6279 2.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.4273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6279 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6279 1.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2479 2.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6279 2.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2479 3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 3.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0079 3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0079 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 0.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2479 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3179 2.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2356 1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5453 1.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 0.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7356 -0.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8179 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8179 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4379 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 2.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 2.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 -1.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 -2.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0910 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9379 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1648 -2.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 12 2 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 46 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 7 23 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 51 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 24 27 2 0 0 0 0 24 30 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 56 1 0 0 0 0 27 32 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 66525574 > 1 > 694 > 6 > 2 > 10 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgQQAAAADIzh3gYyx7LIFAisAyVyVAKD+KBhKjhImLx+7JgPJqLksZ+HOCrk1BH66Aew0BIOKAABgAAAQQBQAAMAAACCAAAAAAAAAA== > N-tert-butyl-2-[2-ethoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]acetamide > N-tert-butyl-2-[2-ethoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]acetamide > N-tert-butyl-2-[2-ethoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]acetamide > N-tert-butyl-2-[2-ethoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]acetamide > N-tert-butyl-2-[2-ethoxy-4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]methyl]phenoxy]ethanamide > N-tert-butyl-2-[2-ethoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]acetamide > InChI=1S/C29H33N3O3S/c1-6-34-25-16-20(8-14-24(25)35-18-27(33)32-29(3,4)5)17-30-22-11-9-21(10-12-22)28-31-23-13-7-19(2)15-26(23)36-28/h7-16,30H,6,17-18H2,1-5H3,(H,32,33) > VEIUPJSMEAQQLY-UHFFFAOYSA-N > 6.5 > 503.22426310 > C29H33N3O3S > 503.7 > CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)OCC(=O)NC(C)(C)C > CCOC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)OCC(=O)NC(C)(C)C > 101 > 503.22426310 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 23 8 1 24 8 14 18 8 14 20 8 16 17 8 16 21 8 17 18 8 19 25 8 19 26 8 20 21 8 22 28 8 22 29 8 24 27 8 24 30 8 25 28 8 26 29 8 27 32 8 30 31 8 31 33 8 32 33 8 7 23 8 7 27 8 $$$$