67922545 -OEChem-05132416382D 65 67 0 1 0 0 0 0 0999 V2000 3.2018 0.6546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 3.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5321 10.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 10.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 11.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 9.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 2.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 5.1546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 2.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.6546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3358 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 6.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 6.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 2.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3319 2.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 2.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 10.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 10.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 10.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 10.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 4.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 3.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 5.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 5.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 5.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 5.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 3.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 4.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 4.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 7.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 7.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 3.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0636 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 1.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7341 2.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 3.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 9.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 11.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 10.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 10.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 29 2 0 0 0 0 3 35 1 0 0 0 0 3 64 1 0 0 0 0 4 36 1 0 0 0 0 4 65 1 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 2 0 0 0 0 14 21 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 20 25 2 0 0 0 0 21 24 2 0 0 0 0 21 49 1 0 0 0 0 22 27 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 3 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 M END > 67922545 > 1 > 705 > 8 > 3 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAQAAAAA8YIAAAAAAAACxQAAAHgQQCAAADCjB2AQyyYPAAgiIAiXSWACCAAAlChAIiJ0IZMgIZHLglZGUMQhglgDo2YcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > N-allyl-10-[2-(2,5-dihydropyrrol-1-yl)-1-methyl-ethyl]phenothiazine-2-carboxamide;but-2-enedioic acid > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enyl-2-phenothiazinecarboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enylphenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enylphenothiazine-2-carboxamide > but-2-enedioic acid;10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-prop-2-enyl-phenothiazine-2-carboxamide > N-allyl-10-[1-methyl-2-(3-pyrrolin-1-yl)ethyl]phenothiazine-2-carboxamide;but-2-enedioic acid > InChI=1S/C23H25N3OS.C4H4O4/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22;5-3(6)1-2-4(7)8/h3-11,15,17H,1,12-14,16H2,2H3,(H,24,27);1-2H,(H,5,6)(H,7,8) > DXHKFOCWEZIOAZ-UHFFFAOYSA-N > 507.18279221 > C27H29N3O5S > 507.6 > CC(CN1CC=CC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC=C.C(=CC(=O)O)C(=O)O > CC(CN1CC=CC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)NCC=C.C(=CC(=O)O)C(=O)O > 136 > 507.18279221 > 0 > 36 > 0 > 1 > 0 > 1 > 0 > 2 > -1 > 1 5 255 > 10 15 3 14 19 8 14 21 8 16 20 8 16 22 8 19 23 8 20 25 8 21 24 8 22 27 8 23 26 8 24 26 8 25 28 8 27 28 8 33 34 1 $$$$