compound 0280913

Properties Image MNX_ID MNXM1178385 reference envipathM:...38da41cc96fb formula C14H13N3O5S global charge 0 mol weight 335.341 InChIKey LWHFCBSOQPAMBW-UHFFFAOYSA-N InChI InChI=1S/C14H13N3O5S/c1-22-13-11(15-5-4-12(13)19)7-23(20,21)14-16-9-3-2-8(18)6-10(9)17-14/h2-6,18H,7H2,1H3,(H,15,19)(H,16,17) SMILES COC1=C(CS(=O)(=O)C2=NC3=C(C=C(O)C=C3)N2)N=CC=C1O MNX internals InChI (mnx) InChI=1/C14H13N3O5S/c1-22-13-11(15-5-4-12(13)19)7-23(20,21)14-16-9-3-2-8(18)6-10(9)17-14/h2-6,18H,7H2,1H3,(H,15,19)(H,16,17) SMILES (mnx) [CH3:1][O:22][C:13]1=[C:11]([CH2:7][S:23]([C:14]2=[N:16][C:9]3=[C:10]([CH:6]=[C:8]([OH:18])[CH:2]=[CH:3]3)[NH:17]2)(=[O:20])=[O:21])[NH:15][CH:5]=[CH:4][C:12]1=[O:19]

Parent-child relations graph

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