ML 145

Analyte Name

2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

CAS Number

1164500-72-4

Molecular Formula

C24 H22 N2 O5 S2

Molecular Weight

482.572

Accurate Mass

482.097

SMILES

C\C(=C/c1ccccc1)\C=C\2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O

InChI

InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-

IUPAC

2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat