1716526 -OEChem-03292407002D 53 55 0 1 0 0 0 0 0999 V2000 4.6783 -1.1637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.5911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -2.5910 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 -1.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -3.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0818 -3.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.8590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 0.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2356 1.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 1.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 2.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 3.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 3.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 -0.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 -1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 -3.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 22 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 7 22 2 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 26 1 0 0 0 0 10 32 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 41 1 0 0 0 0 21 12 1 6 0 0 0 12 25 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END > 1716526 > 1 > 724 > 11 > 2 > 9 > AAADceB7OYBAAAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAEgB4AAAHwQQAAAADAyh2BIzjYLABEiMAqnS2AKDCIBlKBkIiBHGTMiOJjrktb+HGajuxRP46eeY3+KOgAAAAAAAAAAAAAAAAAgAAAAAAAAAAA== > methyl 2-[[(1S)-1-ethoxycarbonyl-2,2,2-trifluoro-1-(furan-2-carbonylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate > 2-[[(2S)-3-ethoxy-1,1,1-trifluoro-2-[[2-furanyl(oxo)methyl]amino]-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester > methyl 2-[[(2S)-3-ethoxy-1,1,1-trifluoro-2-(furan-2-carbonylamino)-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > methyl 2-[[(2S)-3-ethoxy-1,1,1-trifluoro-2-(furan-2-carbonylamino)-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > methyl 2-[[(2S)-3-ethoxy-1,1,1-tris(fluoranyl)-2-(furan-2-ylcarbonylamino)-3-oxidanylidene-propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > 2-[[(1S)-1-carbethoxy-2,2,2-trifluoro-1-(2-furoylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester > InChI=1S/C20H21F3N2O6S/c1-3-30-18(28)19(20(21,22)23,24-15(26)12-8-6-10-31-12)25-16-14(17(27)29-2)11-7-4-5-9-13(11)32-16/h6,8,10,25H,3-5,7,9H2,1-2H3,(H,24,26)/t19-/m0/s1 > YCKOZBZMDANQQA-IBGZPJMESA-N > 5.3 > 474.10724205 > C20H21F3N2O6S > 474.5 > CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC=CO3 > CCOC(=O)[C@@](C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC=CO3 > 135 > 474.10724205 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 20 8 10 26 8 10 32 8 21 12 6 13 18 8 13 19 8 19 20 8 26 29 8 29 31 8 31 32 8 $$$$