1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester

Properties Image MNX_ID MNXM177416 reference chebi:116498 formula C14H9NO4S global charge 0 mol weight 287.296 InChIKey CYRQVRWWJMWVJF-UHFFFAOYSA-N InChI InChI=1S/C14H9NO4S/c16-11(12-2-1-5-18-12)7-19-14(17)9-3-4-10-13(6-9)20-8-15-10/h1-6,8H,7H2 SMILES O=C(COC(=O)C1=CC2=C(C=C1)N=CS2)C1=CC=CO1 MNX internals InChI (mnx) InChI=1/C14H9NO4S/c16-11(12-2-1-5-18-12)7-19-14(17)9-3-4-10-13(6-9)20-8-15-10/h1-6,8H,7H2 SMILES (mnx) [CH:1]1=[CH:5][O:18][C:12]([C:11]([CH2:7][O:19][C:14]([C:9]2=[CH:6][C:13]3=[C:10]([CH:4]=[CH:3]2)[N:15]=[CH:8][S:20]3)=[O:17])=[O:16])=[CH:2]1

Parent-child relations graph

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