12038868 -OEChem-03282414532D 42 44 0 1 0 0 0 0 0999 V2000 4.6783 1.6038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.0670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6419 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4519 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 40 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 18 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 15 2 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > 12038868 > 1 > 462 > 5 > 1 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADCjB3gQyybMIEgisAyTyTACD8KBhCjhImD24ZJgKIKLgkbGEYAhggAD4yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-N-methyl-anilino]propanoic acid > 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methylanilino]propanoic acid > 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methylanilino]propanoic acid > 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methylanilino]propanoic acid > 2-[[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-methyl-amino]propanoic acid > 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-N-methyl-anilino]propionic acid > InChI=1S/C19H18N2O2S/c1-13(19(22)23)21(2)15-10-7-14(8-11-15)9-12-18-20-16-5-3-4-6-17(16)24-18/h3-13H,1-2H3,(H,22,23)/b12-9+ > MQQYQLUEVONKLA-FMIVXFBMSA-N > 4.8 > 338.10889899 > C19H18N2O2S > 338.4 > CC(C(=O)O)N(C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3S2 > CC(C(=O)O)N(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2 > 81.7 > 338.10889899 > 0 > 24 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 17 8 1 19 8 10 14 8 11 15 8 12 14 8 12 15 8 17 18 8 17 21 8 18 22 8 21 23 8 22 24 8 23 24 8 5 18 8 5 19 8 6 8 3 7 10 8 7 11 8 $$$$