55646842 -OEChem-03292408342D 58 61 0 0 0 0 0 0 0999 V2000 4.6783 3.7043 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 1.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2337 -2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 -3.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -0.5645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 1.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 1.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 3.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2619 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3368 -3.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 3.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 3.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 1.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2385 2.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 2.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 1.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2479 3.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 4.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0079 3.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 0.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5158 0.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 -0.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 -0.3525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 0.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9519 -1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 -0.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6419 -2.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4519 -3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5285 -4.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 -3.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 22 2 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 29 1 0 0 0 0 6 32 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END > 55646842 > 1 > 658 > 7 > 1 > 10 > AAADceB7OABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB9AAAHgQQAAAADgzh3gcyz7LIFAisAyXyXAKD+KBhKjhImL1+7JgfJrLksZ+nMCpk1hH+6Ae00BIPIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoate > 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoate > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoate > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoate > 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butyric acid [2-keto-2-(piperonylamino)ethyl] ester > InChI=1S/C24H26N2O5S/c1-3-24(4-2,12-22-26-17-7-5-6-8-20(17)32-22)23(28)29-14-21(27)25-13-16-9-10-18-19(11-16)31-15-30-18/h5-11H,3-4,12-15H2,1-2H3,(H,25,27) > CHNBDDNASQFEQS-UHFFFAOYSA-N > 4.8 > 454.15624311 > C24H26N2O5S > 454.5 > CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 > CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 > 115 > 454.15624311 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 14 8 1 17 8 17 18 8 17 20 8 18 21 8 20 24 8 21 25 8 24 25 8 26 27 8 26 30 8 27 28 8 28 29 8 29 31 8 30 31 8 7 14 8 7 18 8 $$$$