4-[(3-methyl-5-propan-2-yl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(3-methyl-5-propan-2-yl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(3-isopropyl-5-methyl-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(3-methyl-5-propan-2-ylphenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(3-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(3-isopropyl-5-methyl-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C15H17NO3S MolecularWeight: 291.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-9(2)11-4-10(3)5-13(6-11)19-7-12-8-20-14(16-12)15(17)18/h4-6,8-9H,7H2,1-3H3,(H,17,18)