31886863 -OEChem-05132420392D 62 63 0 0 0 0 0 0 0999 V2000 5.6783 -0.8529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 1.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -2.6462 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2619 -0.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -3.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2619 -3.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8959 -4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -2.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1793 -2.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 -3.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 1.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3445 -2.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6542 -2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9739 -4.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3725 -3.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 -1.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -1.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 -2.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7249 -3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5719 -4.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7988 -3.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5859 -3.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 -4.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 -4.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 0.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -0.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 3.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 3.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 4.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 3.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 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 25 1 0 0 0 0 3 27 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 7 56 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M CHG 1 6 1 M END > 31886863 > 1 > 528 > 5 > 3 > 10 > AAADcfB7OABAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAEgBgAAAHgQQAAAADETh2AYDiYPABAiMAgDQWACDAIBlCBkAiJEITMiIJjrg9JmGEYhu1gPo6WeYfB5OgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-ammonium > 3-[[[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-oxomethyl]amino]propyl-diethylammonium > 3-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethylazanium > 3-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethylazanium > 3-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-azanium > 3-[(3-carbethoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoylamino]propyl-diethyl-ammonium > InChI=1S/C20H33N3O4S/c1-6-23(7-2)11-9-10-21-19(25)22-17-16(18(24)26-8-3)14-12-20(4,5)27-13-15(14)28-17/h6-13H2,1-5H3,(H2,21,22,25)/p+1 > DMZOOLSDAYMLBG-UHFFFAOYSA-O > 3.2 > 412.22700275 > C20H34N3O4S+ > 412.6 > CC[NH+](CC)CCCNC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC > CC[NH+](CC)CCCNC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC > 109 > 412.22700275 > 1 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 21 8 11 13 8 11 17 8 17 21 8 $$$$