4-[(4-bromanyl-2-chloranyl-6-methyl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-bromo-2-chloro-6-methyl-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-bromo-2-chloro-6-methylphenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-bromo-2-chloro-6-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-bromo-2-chloro-6-methyl-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C12H9BrClNO3S MolecularWeight: 362.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CSC(=N2)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CSC(=N2)C(=O)O)Cl)Br

InChI

InChI=1S/C12H9BrClNO3S/c1-6-2-7(13)3-9(14)10(6)18-4-8-5-19-11(15-8)12(16)17/h2-3,5H,4H2,1H3,(H,16,17)