2317684 -OEChem-04192420052D 68 72 0 0 0 0 0 0 0999 V2000 4.6783 2.2028 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 -3.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 -1.2280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7639 1.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 3.1301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 -1.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4008 -2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -0.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8504 0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0414 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5729 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8684 2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4865 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7820 2.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9173 0.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4296 1.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6018 1.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 1.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2572 -2.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 -1.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0409 -0.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 -1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4224 -3.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 -3.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2061 -2.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3718 -2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0449 -1.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7675 -1.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6262 1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2474 -0.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1062 1.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 0.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9196 -0.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7185 2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 2.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7387 0.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0529 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2343 1.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0342 1.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3484 2.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5298 3.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 31 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 25 2 0 0 0 0 5 32 1 0 0 0 0 6 28 3 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 2 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 24 2 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 2317684 > 1 > 899 > 6 > 0 > 7 > AAADcfB7oABAAAAAAAAAAAAAAAAAAWIAAAA8YIAAAAAAAFgB9AAAHgQAAAAADAjh3gYywbMIFAi0ByRiRACj8KBhCjhImDw4ZJgKoKLgkZGHIAhggAD4yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylene]-2-morpholino-cyclopenten-1-yl]prop-2-enenitrile > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]-2-propenenitrile > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]prop-2-enenitrile > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]prop-2-enenitrile > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]prop-2-enenitrile > (E)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]acrylonitrile > InChI=1S/C30H32N4OS/c1-3-33(4-2)26-13-9-22(10-14-26)19-23-11-12-24(29(23)34-15-17-35-18-16-34)20-25(21-31)30-32-27-7-5-6-8-28(27)36-30/h5-10,13-14,19-20H,3-4,11-12,15-18H2,1-2H3/b23-19+,25-20+ > ZTJOUKDDAYRXCL-DJCYKTPPSA-N > 5.4 > 496.22968283 > C30H32N4OS > 496.7 > CCN(CC)C1=CC=C(C=C1)C=C2CCC(=C2N3CCOCC3)C=C(C#N)C4=NC5=CC=CC=C5S4 > CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)/C=C(\C#N)/C4=NC5=CC=CC=C5S4 > 80.6 > 496.22968283 > 0 > 36 > 0 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 31 8 18 20 8 18 21 8 20 23 8 21 24 8 22 23 8 22 24 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 5 25 8 5 32 8 $$$$