compound 0235384

Properties Image MNX_ID MNXM1176808 reference envipathM:...d62629190101 formula C14H13NO4S global charge 0 mol weight 291.328 InChIKey TUCRYQUIJYEZSB-UHFFFAOYSA-N InChI InChI=1S/C14H13NO4S/c16-12-7-3-4-9(8-19-12)20-15-13(17)10-5-1-2-6-11(10)14(15)18/h1-2,5-6,9H,3-4,7-8H2 SMILES O=C1CCCC(SN2C(=O)C3=C(C=CC=C3)C2=O)CO1 MNX internals InChI (mnx) InChI=1/C14H13NO4S/c16-12-7-3-4-9(8-19-12)20-15-13(17)10-5-1-2-6-11(10)14(15)18/h1-2,5-6,9H,3-4,7-8H2/t9? SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:11]2[C:10](=[CH:5]1)[C:13](=[O:17])[N:15]([S:20][CH:9]1[CH2:4][CH2:3][CH2:7][C:12](=[O:16])[O:19][CH2:8]1)[C:14]2=[O:18]

Parent-child relations graph

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