60389337 -OEChem-03182422372D 44 47 0 0 0 0 0 0 0999 V2000 4.1671 -0.6871 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 -0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 -0.2820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 0.7067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4050 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 -0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0065 -1.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8035 -1.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 -1.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 1.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0121 -0.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4139 -0.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4139 0.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0121 1.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1590 0.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9190 0.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -1.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 17 2 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 22 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > 60389337 > 1 > 529 > 5 > 0 > 4 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAFiR9AAAHgQAAAAADAzh3gYyx7MIFAisAyVyVACD+KBhKjhImDw+7NgNJqLksZuGOCrkxhHq6Yew0BIOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-prop-2-enamide > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-propenamide > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-prop-2-enamide > (E)-3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acrylamide > InChI=1S/C20H18N2O3S/c1-22(13-14-6-7-16-17(12-14)25-11-10-24-16)20(23)9-8-19-21-15-4-2-3-5-18(15)26-19/h2-9,12H,10-11,13H2,1H3/b9-8+ > IDBIPJWEJBXEML-CMDGGOBGSA-N > 3.5 > 366.10381361 > C20H18N2O3S > 366.4 > CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C=CC3=NC4=CC=CC=C4S3 > CN(CC1=CC2=C(C=C1)OCCO2)C(=O)/C=C/C3=NC4=CC=CC=C4S3 > 79.9 > 366.10381361 > 0 > 26 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 19 8 1 21 8 10 13 8 12 13 8 19 20 8 19 23 8 20 24 8 23 25 8 24 26 8 25 26 8 6 20 8 6 21 8 7 11 8 7 12 8 9 10 8 9 11 8 $$$$