650071 -OEChem-03292405272D 45 45 0 0 0 0 0 0 0999 V2000 5.4641 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 17 2 0 0 0 0 5 20 2 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END > 650071 > 1 > 330 > 5 > 1 > 11 > AAADceB6OABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgQQAAAACAyl0AKyzoLABAiIACXSWACCCAAhIhAIiAAGbIgMJiLEsZuGOCjk1BHo6AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > ethyl 2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylacetate > 2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]acetic acid ethyl ester > ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate > ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate > ethyl 2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate > 2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]acetic acid ethyl ester > InChI=1S/C16H23NO4S/c1-3-5-10-21-14-8-6-13(7-9-14)17-15(18)11-22-12-16(19)20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,18) > HTWLZRHWJNVZHO-UHFFFAOYSA-N > 3.3 > 325.13477939 > C16H23NO4S > 325.4 > CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC > CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC > 89.9 > 325.13477939 > 0 > 22 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 11 14 8 12 15 8 12 16 8 13 15 8 14 16 8 $$$$