compound 0235304

Properties Image MNX_ID MNXM1191377 reference envipathM:...4ee0b908d6df formula C14H15NO3S global charge 0 mol weight 277.345 InChIKey RUFABLZAAJWAIX-UHFFFAOYSA-N InChI InChI=1S/C14H15NO3S/c16-9-4-3-5-10(8-9)19-15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9-10,16H,3-5,8H2 SMILES O=C1C2=C(C=CC=C2)C(=O)N1SC1CCCC(O)C1 MNX internals InChI (mnx) InChI=1/C14H15NO3S/c16-9-4-3-5-10(8-9)19-15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9-10,16H,3-5,8H2/t9?,10? SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:12]2[C:11](=[CH:6]1)[C:13](=[O:17])[N:15]([S:19][CH:10]1[CH2:5][CH2:3][CH2:4][CH:9]([OH:16])[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