4-(2-bromanylethanoyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(2-bromanylethanoyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(2-bromoacetyl)thiazole-2-carboxylic acid CAS Name: 4-(2-bromo-1-oxoethyl)-2-thiazolecarboxylic acid IUPAC Name: 4-(2-bromoacetyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(2-bromoacetyl)thiazole-2-carboxylic acid Formula: C6H4BrNO3S MolecularWeight: 250.06986

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)C(=O)O)C(=O)CBr

Isomeric SMILES

C1=C(N=C(S1)C(=O)O)C(=O)CBr

InChI

InChI=1S/C6H4BrNO3S/c7-1-4(9)3-2-12-5(8-3)6(10)11/h2H,1H2,(H,10,11)