16760063 -OEChem-05132418322D 60 62 0 1 0 0 0 0 0999 V2000 2.0000 -1.5241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1904 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7263 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7919 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5889 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2463 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8477 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0985 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3254 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4785 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3024 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5424 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 19 2 0 0 0 0 5 32 1 0 0 0 0 6 32 2 0 0 0 0 7 19 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 23 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 38 1 0 0 0 0 13 19 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 32 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 31 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 M CHG 1 5 -1 M END > 16760063 > 1 > 687 > 6 > 0 > 10 > AAADceB7MABkAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgYAAAAADAqF3iSyyPMIEAioAyXyXACCgSAhBzAImCE4ZpgIIOLhk5GEIAhgggDoyAcQgMAOBAACAAICAAAIAAQABAQAAAAAAAAAAA== > 3-[[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]sulfanylpropanoate > 3-[[[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-[[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoate > 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate > 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate > 3-[[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoate > 3-[[[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[[3-(dimethylamino)-3-keto-propyl]thio]methyl]thio]propionate > InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+ > AXUZQJFHDNNPFG-UXBLZVDNSA-M > 5.9 > 513.1073377 > C26H26ClN2O3S2- > 514.1 > CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)[O-] > CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)[O-] > 124 > 513.1073377 > -1 > 34 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 15 8 12 14 8 14 17 8 15 18 8 17 18 8 23 26 8 24 25 8 24 27 8 24 30 8 25 31 8 26 27 8 9 3 3 30 33 8 31 34 8 33 34 8 8 23 8 8 25 8 $$$$