29057281 -OEChem-05042402032D 50 52 0 0 0 0 0 0 0999 V2000 5.6783 -0.9200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2619 -1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 2.3843 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9674 1.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.9813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.9813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.1153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 0.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -2.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8445 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 0.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 -2.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3445 -0.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 -0.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 0.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6793 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3695 -2.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5719 -2.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 24 2 0 0 0 0 4 25 1 0 0 0 0 4 50 1 0 0 0 0 5 26 1 0 0 0 0 6 26 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 5 -1 M END > 29057281 > 1 > 533 > 7 > 2 > 3 > AAADceB7OABAAAAAAAAAAAAAAAAAASAAAAAsSAAAAAAAAEgBgAAAHgQQCAAADETh2AYDiYPABgiMAgDQWACDAIBlCBkAiBEITMiKdjrgtJmWEYhuxgP46WeYfB5OgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 2-[[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 2-[[4-(2-hydroxyethyl)piperazin-1-yl]carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate > InChI=1S/C17H25N3O5S/c1-17(2)9-11-12(10-25-17)26-14(13(11)15(22)23)18-16(24)20-5-3-19(4-6-20)7-8-21/h21H,3-10H2,1-2H3,(H,18,24)(H,22,23)/p-1 > CWVNFYUUWXAJTJ-UHFFFAOYSA-M > -1 > 382.14366705 > C17H24N3O5S- > 382.5 > CC1(CC2=C(CO1)SC(=C2C(=O)[O-])NC(=O)N3CCN(CC3)CCO)C > CC1(CC2=C(CO1)SC(=C2C(=O)[O-])NC(=O)N3CCN(CC3)CCO)C > 133 > 382.14366705 > -1 > 26 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 17 8 1 23 8 12 17 8 12 19 8 19 23 8 $$$$