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

Systemtic Name: 2-[(4-bromophenyl)methyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(4-bromophenyl)methyl]thiazole-5-carboxylic acid CAS Name: 2-[(4-bromophenyl)methyl]-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-bromobenzyl)thiazole-5-carboxylic acid Formula: C11H8BrNO2S MolecularWeight: 298.15572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC=C(S2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=NC=C(S2)C(=O)O)Br

InChI

InChI=1S/C11H8BrNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15)