1,3-benzothiazole-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester

Properties Image MNX_ID MNXM177418 reference chebi:111315 formula C20H22N2O4S global charge 0 mol weight 386.473 InChIKey ZOILMRVXTXARLL-UHFFFAOYSA-N InChI InChI=1S/C20H22N2O4S/c1-12-7-16(14(3)22(12)13(2)9-25-4)18(23)10-26-20(24)15-5-6-17-19(8-15)27-11-21-17/h5-8,11,13H,9-10H2,1-4H3 SMILES COCC(C)N1C(C)=CC(C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)=C1C MNX internals InChI (mnx) InChI=1/C20H22N2O4S/c1-12-7-16(14(3)22(12)13(2)9-25-4)18(23)10-26-20(24)15-5-6-17-19(8-15)27-11-21-17/h5-8,11,13H,9-10H2,1-4H3/t13? SMILES (mnx) [CH3:1][C:12]1=[CH:7][C:16]([C:18]([CH2:10][O:26][C:20]([C:15]2=[CH:8][C:19]3=[C:17]([CH:6]=[CH:5]2)[N:21]=[CH:11][S:27]3)=[O:24])=[O:23])=[C:14]([CH3:3])[N:22]1[CH:13]([CH3:2])[CH2:9][O:25][CH3:4]

Parent-child relations graph

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