4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(3,5-dimethylphenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(3,5-dimethylphenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(3,5-dimethylphenoxy)methyl]thiazole-2-carboxylic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=CSC(=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=CSC(=N2)C(=O)O)C

InChI

InChI=1S/C13H13NO3S/c1-8-3-9(2)5-11(4-8)17-6-10-7-18-12(14-10)13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)