4-(2-carboxyphenyl)sulfanyl-3-[[3-[2-(2-ethylhexoxy)phenyl]-3-oxo-propanoyl]amino]benzoic acid

Molecular Formula: C31H33NO7S


InChI: InChI=1/C31H33NO7S/c1-3-5-10-20(4-2)19-39-26-13-8-6-11-22(26)25(33)18-29(34)32-24-17-21(30(35)36)15-16-28(24)40-27-14-9-7-12-23(27)31(37)38/h6-9,11-17,20H,3-5,10,18-19H2,1-2H3,(H,32,34)(H,35,36)(H,37,38)/f/h32,35,37H

InChIKey: InChIKey=CXQWTDILPYVYBU-XLNANHADCK
SMILES: CCCCC(CC)COC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C(=O)O

Names:
    4-(2-carboxyphenyl)sulfanyl-3-[[3-[2-(2-ethylhexoxy)phenyl]-3-oxo-propanoyl]amino]benzoic acid

Registries:
    PubChem CID 3642907
    PubChem ID 9824841