2936641 -OEChem-03282406452D 54 56 0 1 0 0 0 0 0999 V2000 6.4103 -1.6029 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -2.5302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 1.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.6642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -0.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9107 2.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4113 -2.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1016 -3.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 3.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 2.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 -3.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -3.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 -2.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 19 2 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 18 2 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > 2936641 > 1 > 540 > 5 > 2 > 7 > AAADceB7MABgAAAAAAAAAAAAAAAAASAAAAA0QAAAAAAAAEgBwAAAHgQQAAAADRTh2AYziYLABAiMAiDSSACDAIBlCBkIiJEITMiIJjrgtZmGMYhuwANo6WeY/G7OgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > ethyl 2-(benzylcarbamothioylamino)-5-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester > ethyl 2-(benzylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > ethyl 2-(benzylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > ethyl 2-[(phenylmethyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > 2-(benzylthiocarbamoylamino)-5-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester > InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-15-10-16(13(2)3)26-12-17(15)28-19(18)23-21(27)22-11-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H2,22,23,27) > JVQGRIZIAZTRPP-UHFFFAOYSA-N > 4.9 > 418.13848504 > C21H26N2O3S2 > 418.6 > CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC3=CC=CC=C3 > CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC3=CC=CC=C3 > 120 > 418.13848504 > 0 > 28 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 12 8 1 17 8 11 12 8 11 14 8 14 17 8 22 24 8 22 25 8 24 26 8 25 27 8 26 28 8 27 28 8 8 10 3 $$$$