54331059 -OEChem-05122418422D 61 66 0 1 0 0 0 0 0999 V2000 4.9718 1.2931 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 -0.1317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -2.3684 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2660 -0.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 1.2652 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5390 1.3044 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6730 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0710 0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1505 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6472 0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4362 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6472 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6538 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1505 1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 1.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0715 2.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 2.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 2.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0283 2.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5949 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1963 1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9498 1.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4258 -0.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2007 -0.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -1.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 -1.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9763 2.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0203 1.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3459 2.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9551 0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 2.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7705 1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 33 1 0 0 0 0 4 33 2 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 3 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 3 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 21 23 1 0 0 0 0 21 27 2 0 0 0 0 22 24 1 0 0 0 0 22 29 2 0 0 0 0 23 28 2 0 0 0 0 24 30 2 0 0 0 0 25 33 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 34 1 0 0 0 0 29 56 1 0 0 0 0 30 35 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M CHG 2 3 -1 6 1 M END > 54331059 > 1 > 964 > 5 > 0 > 3 > AAADceB7MABgAAAAAAAAAAAAAAAAAWLAAAAwYIEAAAAAAFiB9AAAHgQAAAAADQjB1gQyybMMEAisAyTyTACD8KBhCjhI2Dy4ZJgKIKLgkbGEIAhggAD4yAcQgIAOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-1,3-benzothiazol-3-yl]acetate > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetate > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetate > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetate > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]ethanoate > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-1,3-benzothiazol-3-yl]acetate > InChI=1S/C29H26N2O2S2/c1-30-23-6-2-4-8-25(23)34-27(30)16-19-10-12-21-13-11-20(15-22(21)14-19)17-28-31(18-29(32)33)24-7-3-5-9-26(24)35-28/h2-9,14-17,21H,10-13,18H2,1H3 > SYJNFRVMOVRJOG-UHFFFAOYSA-N > 7.4 > 498.14357042 > C29H26N2O2S2 > 498.7 > C[N+]1=C(SC2=CC=CC=C21)C=C3CCC4CCC(=CC4=C3)C=C5N(C6=CC=CC=C6S5)CC(=O)[O-] > C[N+]1=C(SC2=CC=CC=C21)C=C3CCC4CCC(=CC4=C3)C=C5N(C6=CC=CC=C6S5)CC(=O)[O-] > 101 > 498.14357042 > 0 > 35 > 0 > 1 > 0 > 2 > 0 > 1 > -1 > 1 5 255 > 14 18 1 17 19 1 2 20 8 2 24 8 21 23 8 21 27 8 22 24 8 22 29 8 23 28 8 24 30 8 27 31 8 28 32 8 29 34 8 30 35 8 31 32 8 34 35 8 6 20 8 6 22 8 7 8 3 $$$$