57763798 -OEChem-05142407142D 54 57 0 0 0 0 0 0 0999 V2000 14.2619 -2.3888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4615 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1279 -2.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1279 -1.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.3888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1480 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 -1.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 -0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 -3.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 -3.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 -0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 -1.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 -3.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 -3.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -3.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 1.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 31 1 0 0 0 0 5 54 1 0 0 0 0 6 31 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 15 17 2 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 22 44 1 0 0 0 0 23 31 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 8 1 M END > 57763798 > 1 > 770 > 6 > 1 > 6 > AAADceB7OABgAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQACAAADAjF3gSwybMMEgqsAyTyTHDD8KBhCjhI2Dy4ZJgKIKLgkbGEIAhggAD4yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > 2-[2-[(1E,3E)-4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(1E,3E)-4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(1E,3E)-4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(1E,3E)-4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(1E,3E)-4-[4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid > 2-[2-[(1E,3E)-4-[4-(1,1-diketo-1,4-thiazinan-4-yl)phenyl]buta-1,3-dienyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > InChI=1S/C23H22N2O4S2/c26-23(27)17-25-20-6-2-3-7-21(20)30-22(25)8-4-1-5-18-9-11-19(12-10-18)24-13-15-31(28,29)16-14-24/h1-12H,13-17H2/p+1 > NEMKRKXVCPGNQQ-UHFFFAOYSA-O > 4.4 > 455.10992457 > C23H23N2O4S2+ > 455.6 > C1CS(=O)(=O)CCN1C2=CC=C(C=C2)C=CC=CC3=[N+](C4=CC=CC=C4S3)CC(=O)O > C1CS(=O)(=O)CCN1C2=CC=C(C=C2)/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC(=O)O > 115 > 455.10992457 > 1 > 31 > 0 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 15 8 14 16 8 15 17 8 16 18 8 17 18 8 19 21 8 19 24 8 2 20 8 2 21 8 21 26 8 24 29 8 26 30 8 29 30 8 8 19 8 8 20 8 $$$$