Analyte Name

3-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methylsulfanyl]benzoic acid

Molecular Formula

C20 H18 Br N O5 S

Molecular Weight

464.33

Accurate Mass

463.009

SMILES

CCOC(=O)c1c(CSc2cccc(c2)C(=O)O)n(C)c3cc(Br)c(O)cc13

InChI

InChI=1S/C20H18BrNO5S/c1-3-27-20(26)18-13-8-17(23)14(21)9-15(13)22(2)16(18)10-28-12-6-4-5-11(7-12)19(24)25/h4-9,23H,3,10H2,1-2H3,(H,24,25)

IUPAC

3-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methylsulfanyl]benzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat