3342391 -OEChem-03282415352D 56 59 0 0 0 0 0 0 0999 V2000 11.4240 -1.6503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 1.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -1.7584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9241 0.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5863 -2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 -3.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2064 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 -1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3006 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 -0.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5231 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3101 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9241 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7728 -1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5475 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4902 1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7705 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0776 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0535 2.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3071 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0753 -1.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6196 3.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -3.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 -3.5385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5903 -2.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -0.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 -1.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6536 -1.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -0.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4037 -0.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -1.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1791 0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -2.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0464 1.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9155 -2.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6690 0.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 -2.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 2.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8988 -0.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5281 -2.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9689 3.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 3.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 20 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 44 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 18 24 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 31 2 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > 3342391 > 1 > 700 > 4 > 1 > 7 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAABQAAAHgQQAAAADAjB2AQwwYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > 5-allyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide > 6-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide > 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide > 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide > 6-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide > 5-allyl-6-keto-N-[3-(2-ketopyrrolidino)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C24H25N3O3S/c1-2-13-27-19-16-17(23(29)25-12-6-15-26-14-5-9-22(26)28)10-11-21(19)31-20-8-4-3-7-18(20)24(27)30/h2-4,7-8,10-11,16H,1,5-6,9,12-15H2,(H,25,29) > NBTZIEVJQOQREY-UHFFFAOYSA-N > 2.9 > 435.16166284 > C24H25N3O3S > 435.5 > C=CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3=O)SC4=CC=CC=C4C1=O > C=CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCCC3=O)SC4=CC=CC=C4C1=O > 95 > 435.16166284 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 19 8 16 19 8 16 21 8 18 24 8 21 24 8 22 25 8 22 26 8 25 27 8 26 29 8 27 30 8 29 30 8 $$$$