2-(5-bromanyl-2-ethoxy-phenyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-2-ethoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(5-bromo-2-ethoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(5-bromo-2-ethoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(5-bromo-2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)thiazole-4-carboxylic acid Formula: C12H10BrNO3S MolecularWeight: 328.1817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C12H10BrNO3S/c1-2-17-10-4-3-7(13)5-8(10)11-14-9(6-18-11)12(15)16/h3-6H,2H2,1H3,(H,15,16)