54448535 -OEChem-05102402272D 64 66 0 1 0 0 0 0 0999 V2000 2.0000 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -0.8660 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.1279 -1.7320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6279 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1279 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4379 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6029 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6029 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 2.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0910 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1648 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4401 2.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 2.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2105 -2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5202 -1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5910 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4379 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4379 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5910 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 20 1 0 0 0 0 3 31 1 0 0 0 0 4 27 1 0 0 0 0 4 32 1 0 0 0 0 5 20 2 0 0 0 0 6 27 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 35 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 27 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 21 1 0 0 0 0 14 28 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 26 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 18 23 2 0 0 0 0 18 44 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 21 25 2 3 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 30 2 0 0 0 0 26 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 34 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M CHG 1 8 1 M END > 54448535 > 1 > 700 > 6 > 0 > 12 > AAADceB7OABEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgYAAAAADCrh3iYyybMMFAisAyTyTACD8KBhDzhI2D24ZpgKIKLhk7GHIAhggAD4yAcQgAAOCAIAAAIAAQAQBAAABAACAAAAAAAAAA== > ethyl 2-[4-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-(2-ethoxy-2-oxo-ethyl)anilino]propanoate > 2-[4-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-(2-ethoxy-2-oxoethyl)anilino]propanoic acid ethyl ester > ethyl 2-[4-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-(2-ethoxy-2-oxoethyl)anilino]propanoate > ethyl 2-[4-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-(2-ethoxy-2-oxoethyl)anilino]propanoate > ethyl 2-[[4-[2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]-(2-ethoxy-2-oxidanylidene-ethyl)amino]propanoate > 2-[4-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-(2-ethoxy-2-keto-ethyl)anilino]propionic acid ethyl ester > InChI=1S/C26H30ClN2O4S/c1-5-28-22-16-20(27)11-14-23(22)34-24(28)15-10-19-8-12-21(13-9-19)29(17-25(30)32-6-2)18(4)26(31)33-7-3/h8-16,18H,5-7,17H2,1-4H3/q+1 > OHZNCXYURJILJW-UHFFFAOYSA-N > 6.8 > 501.1614813 > C26H30ClN2O4S+ > 502.0 > CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CC3=CC=C(C=C3)N(CC(=O)OCC)C(C)C(=O)OCC > CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CC3=CC=C(C=C3)N(CC(=O)OCC)C(C)C(=O)OCC > 88 > 501.1614813 > 1 > 34 > 0 > 1 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 10 17 8 10 18 8 12 16 8 12 24 8 16 26 8 17 22 8 18 23 8 19 22 8 19 23 8 2 13 8 2 16 8 21 25 1 24 29 8 26 30 8 29 30 8 8 12 8 8 13 8 9 15 3 $$$$