HMDB0242454 RDKit 3D (1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one 32 33 0 0 0 0 0 0 0 0999 V2000 1.2793 -0.5573 -2.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.6188 -1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 0.2575 -0.4526 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -0.0167 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 0.0242 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -0.2926 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -0.2443 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6129 -0.6035 2.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.4343 1.9664 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 -0.2155 1.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 -0.3651 2.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -0.1502 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1091 0.2139 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 0.4408 -0.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 0.3254 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 0.3627 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 0.1451 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -0.8376 -3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 -0.3318 -3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -1.4348 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5613 1.4105 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 1.0276 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 0.2924 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5253 -0.5828 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.9490 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8105 0.7756 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.6623 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0257 -0.2741 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8963 -0.7371 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 0.7891 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 0.8519 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 0.6512 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 3 5 6 1 0 6 7 1 0 6 8 2 0 4 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 3 1 0 17 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 11 27 1 0 12 28 1 0 15 29 1 0 15 30 1 0 15 31 1 0 16 32 1 0 M END