1521 -OEChem-10051719483D 27 28 0 0 0 0 0 0 0999 V2000 4.5030 1.6312 0.3886 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 1.6731 -0.0216 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 -2.7057 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -3.0596 0.5695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 2.0081 -0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 1.1565 0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -1.0105 0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -0.1787 0.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 -0.1530 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 -0.8335 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 1.2220 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 0.0436 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 -0.8292 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 2.2738 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.0428 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -2.2599 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 0.7921 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 0.1869 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 -1.1535 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 -1.7391 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3904 -0.4707 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 0.2503 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 2.6928 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 3.0932 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -1.1540 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -3.6824 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 0.7971 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 27 1 0 0 0 0 7 18 2 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 17 18 1 0 0 0 0 M END > DB02072 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPDVRWNOCOREGF-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1 > InChI=1S/C10H9NO5S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16) > ZPDVRWNOCOREGF-UHFFFAOYSA-N > C10H9NO5S2 > 287.312 > 286.992213783 > 5 > 27 > -1.999471134223717 > 26.65062924344918 > 1 > 3 > 0 > 1 > 2-(carboxyformamido)-4H,5H,7H-thieno[2,3-c]thiopyran-3-carboxylic acid > 0.68 > 2.3641499616666666 > -3.73 > 0 > -2 > 2 > -2 > 3.747341450034316 > 1.9784435389638033 > -7.359022897943639 > 103.69999999999999 > 67.0302 > 3 > 1 > 5.30e-02 g/l > tetrahydrofolic acid > 0 $$$$