54703802 -OEChem-05092408002D 67 70 0 1 0 0 0 0 0999 V2000 2.8660 -2.6488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -5.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -3.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -4.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -4.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 5.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -3.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -2.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 -3.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1275 -4.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -5.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 35 1 0 0 0 0 2 17 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 19 1 0 0 0 0 4 58 1 0 0 0 0 5 18 2 0 0 0 0 6 30 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 48 1 0 0 0 0 24 30 1 0 0 0 0 24 49 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 27 1 0 0 0 0 26 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 54703802 > 1 > 827 > 7 > 1 > 9 > AAADcfB7OABAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAAABwAAAHgQACAAADSzh2AayDYMABkiIAq3S2ACCCAAkKhAIiBmODMgOJjqk9TuHOSjkxhGYuYe8mYKOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA== > ethyl 1-[[1-(2-furylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridyl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate > 1-[[1-(2-furanylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester > ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxopyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate > ethyl 1-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxopyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate > ethyl 1-[[1-(furan-2-ylmethyl)-6-methyl-4-oxidanyl-2-oxidanylidene-pyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate > 1-[[1-(2-furfuryl)-4-hydroxy-2-keto-6-methyl-3-pyridyl]-[4-(methylthio)phenyl]methyl]isonipecotic acid ethyl ester > InChI=1S/C27H32N2O5S/c1-4-33-27(32)20-11-13-28(14-12-20)25(19-7-9-22(35-3)10-8-19)24-23(30)16-18(2)29(26(24)31)17-21-6-5-15-34-21/h5-10,15-16,20,25,30H,4,11-14,17H2,1-3H3 > OASVFVOPJXGMRO-UHFFFAOYSA-N > 3.5 > 496.20319330 > C27H32N2O5S > 496.6 > CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(C=C(N(C3=O)CC4=CC=CO4)C)O > CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(C=C(N(C3=O)CC4=CC=CO4)C)O > 109 > 496.20319330 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 3 15 18 8 15 19 8 16 20 8 16 21 8 19 23 8 20 25 8 21 26 8 22 23 8 25 27 8 26 27 8 30 32 8 32 33 8 33 34 8 6 30 8 6 34 8 8 18 8 8 22 8 $$$$