Molecular Weight (g/mol)

316.4

Molecular Formula

C16H16N2O3S

InChI

InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

InChIKey

BQSJTQLCZDPROO-UHFFFAOYSA-N

SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O

IUPAC Name

2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Exact Mass (Da)

316.08816355

Monoisotopic Mass (Da)

316.08816355