51572813 -OEChem-03292410392D 52 55 0 1 0 0 0 0 0999 V2000 5.7307 -3.5893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -4.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -0.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 4.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -1.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 1.2877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -3.3668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3219 -2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5126 -1.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5126 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -4.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9533 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -5.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3126 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3126 -2.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 -5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -5.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 2.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7541 1.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 3.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 -4.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2896 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -4.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 -5.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 -1.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 -3.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 1.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 -5.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 3.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 1.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3371 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 2.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 4.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 5.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 6.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 6.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 5.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 18 2 0 0 0 0 5 26 1 0 0 0 0 5 29 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 1 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 28 2 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > 51572813 > 1 > 596 > 5 > 1 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAASAAAAAwYAAABYAAAAAB0AAAHgQQAAAACAzl0Aayx4PABEiIAK1S0ACCCAAlKhAIiB2ObMgMZjLktbuWOSjk1hHo6Ye/yCCAAEAAAAAAAQAAgAAAAAACAAAAAAAAAA== > N-(4-ethoxyphenyl)-2-[(2S)-2-(2-furyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide > N-(4-ethoxyphenyl)-2-[(2S)-2-(2-furanyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide > N-(4-ethoxyphenyl)-2-[(2S)-2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide > N-(4-ethoxyphenyl)-2-[(2S)-2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide > N-(4-ethoxyphenyl)-2-[(2S)-2-(furan-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide > 2-[(2S)-2-(2-furyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-p-phenetyl-acetamide > InChI=1S/C23H22N2O4S/c1-2-28-17-11-9-16(10-12-17)24-22(26)15-25-18-6-3-4-8-20(18)30-21(14-23(25)27)19-7-5-13-29-19/h3-13,21H,2,14-15H2,1H3,(H,24,26)/t21-/m0/s1 > CMDRWPZARZZCGJ-NRFANRHFSA-N > 3.4 > 422.13002836 > C23H22N2O4S > 422.5 > CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CO4 > CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C[C@H](SC3=CC=CC=C32)C4=CC=CO4 > 97.1 > 422.13002836 > 0 > 30 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 15 8 12 16 8 13 17 8 15 19 8 16 20 8 17 21 8 19 20 8 2 13 8 2 22 8 21 22 8 23 24 8 23 25 8 24 27 8 25 28 8 26 27 8 26 28 8 8 31 5 $$$$