15404589 -OEChem-04162415092D 62 65 0 0 0 0 0 0 0999 V2000 4.6783 1.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4236 -2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4236 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1123 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1123 1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5576 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5576 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4181 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4181 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3692 -2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3692 2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3592 -0.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5362 -0.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 1.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5362 0.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 -1.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9724 -1.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4713 2.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9724 1.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1271 -2.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3533 -1.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 2.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3533 1.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3259 -2.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0592 -1.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9264 2.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0592 1.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9497 -0.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 -0.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0939 0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 0.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 26 2 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 19 2 0 0 0 0 14 42 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 15404589 > 1 > 528 > 7 > 0 > 3 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQAAAAADAjh3gYwwbMIFAikAyRiRACD8KBhCjhImDw4ZJgLIKLgkZGHIAhggAD6yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > 13-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane > InChI=1S/C25H30N2O4S/c1-2-4-24-23(3-1)26-25(32-24)10-7-21-5-8-22(9-6-21)27-11-13-28-15-17-30-19-20-31-18-16-29-14-12-27/h1-10H,11-20H2/b10-7+ > DGBDFFSOBZEWNG-JXMROGBWSA-N > 4 > 454.19262862 > C25H30N2O4S > 454.6 > C1COCCOCCOCCOCCN1C2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4S3 > C1COCCOCCOCCOCCN1C2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4S3 > 81.3 > 454.19262862 > 0 > 32 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 26 8 1 27 8 10 13 8 10 14 8 13 18 8 14 19 8 15 18 8 15 19 8 27 28 8 27 29 8 28 30 8 29 31 8 30 32 8 31 32 8 7 26 8 7 28 8 $$$$