4-[(4-propanoylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-propanoylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-propanoylphenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[[4-(1-oxopropyl)phenoxy]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-propanoylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-propionylphenoxy)methyl]thiazole-2-carboxylic acid Formula: C14H13NO4S MolecularWeight: 291.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C14H13NO4S/c1-2-12(16)9-3-5-11(6-4-9)19-7-10-8-20-13(15-10)14(17)18/h3-6,8H,2,7H2,1H3,(H,17,18)