25418912 -OEChem-04252401002D 54 56 0 1 0 0 0 0 0999 V2000 6.4103 -0.7369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.0679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 4.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -4.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9107 3.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 4.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 -0.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 4.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 4.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 3.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 -2.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6839 -3.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1139 -2.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9570 -4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8039 -4.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -3.9522 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 8 1 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 18 2 0 0 0 0 5 19 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 1 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 22 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > 25418912 > 1 > 551 > 5 > 2 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAASAAAAA0QAAAAAAAAEgBwAAAHgQQAAAADRyh2AIzyYLABAiMAiTSWACDAIBlChkIiBEAbMiIJjrgtZmGMYhu1ANo6WeY/G7OiAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > ethyl (5R)-5-isopropyl-2-(p-tolylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > (5R)-2-[[(4-methylanilino)-oxomethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester > ethyl (5R)-2-[(4-methylphenyl)carbamoylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > ethyl (5R)-2-[(4-methylphenyl)carbamoylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > ethyl (5R)-2-[(4-methylphenyl)carbamoylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate > (5R)-5-isopropyl-2-(p-tolylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester > InChI=1S/C21H26N2O4S/c1-5-26-20(24)18-15-10-16(12(2)3)27-11-17(15)28-19(18)23-21(25)22-14-8-6-13(4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,25)/t16-/m1/s1 > YGGUYNSNLAROIY-MRXNPFEDSA-N > 4.8 > 402.16132849 > C21H26N2O4S > 402.5 > CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=O)NC3=CC=C(C=C3)C > CCOC(=O)C1=C(SC2=C1C[C@@H](OC2)C(C)C)NC(=O)NC3=CC=C(C=C3)C > 105 > 402.16132849 > 0 > 28 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 12 8 1 17 8 11 12 8 11 14 8 14 17 8 21 23 8 21 24 8 23 26 8 24 27 8 25 26 8 25 27 8 8 10 5 $$$$