compound 0235502

Properties Image MNX_ID MNXM1178034 reference envipathM:...52262a7cbcc1 formula C14H11NO4S global charge 0 mol weight 289.312 InChIKey DWERQEWZIHJYJI-UHFFFAOYSA-N InChI InChI=1S/C14H11NO4S/c16-10-6-3-7-11(17)12(10)20-15-13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,12H,3,6-7H2 SMILES O=C1CCCC(=O)C1SN1C(=O)C2=C(C=CC=C2)C1=O MNX internals InChI (mnx) InChI=1/C14H11NO4S/c16-10-6-3-7-11(17)12(10)20-15-13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,12H,3,6-7H2 SMILES (mnx) [CH:1]1=[CH:2][CH:5]=[C:9]2[C:8](=[CH:4]1)[C:13](=[O:18])[N:15]([S:20][CH:12]1[C:10](=[O:16])[CH2:6][CH2:3][CH2:7][C:11]1=[O:17])[C:14]2=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0