1102219 -OEChem-03282414332D 46 48 0 1 0 0 0 0 0999 V2000 5.5443 -1.6029 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.5302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 1.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7157 -1.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -3.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.6642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7157 -3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -3.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -0.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 2.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 3.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 2.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 -3.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1683 -3.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1683 -1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 19 2 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 23 1 0 0 0 0 5 26 1 0 0 0 0 6 22 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 1 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > 1102219 > 1 > 559 > 6 > 2 > 5 > AAADceB7OABgAAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAEgB4AAAHgQQAAAADQSh2AIzjYLABEiMAqnS2AKDCIBlKBkIiBHGTMiOJjrktb+HGajuwRN46eeY3+KOgAAAAAAAAACAAAEAAAgAAAAAAAAAAA== > ethyl (6S)-2-(furan-2-carbonylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate > (6S)-2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester > ethyl (6S)-2-(furan-2-carbonylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > ethyl (6S)-2-(furan-2-carbonylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > ethyl (6S)-2-(furan-2-ylcarbonylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (6S)-2-(2-furoylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester > InChI=1S/C18H20N2O4S2/c1-3-23-17(22)14-11-7-6-10(2)9-13(11)26-16(14)20-18(25)19-15(21)12-5-4-8-24-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,19,20,21,25)/t10-/m0/s1 > MHHNMVKYMMQDOZ-JTQLQIEISA-N > 4.8 > 392.08644947 > C18H20N2O4S2 > 392.5 > CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CO3 > CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=S)NC(=O)C3=CC=CO3 > 141 > 392.08644947 > 0 > 26 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 14 8 1 17 8 13 14 8 13 16 8 16 17 8 23 24 8 24 25 8 25 26 8 5 23 8 5 26 8 9 15 5 $$$$