2-(3-bromanyl-4-ethoxy-phenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(3-bromanyl-4-ethoxy-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(3-bromo-4-ethoxy-phenyl)thiazole-4-carboxylate CAS Name: 2-(3-bromo-4-ethoxyphenyl)-4-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4-ethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-bromo-4-ethoxy-phenyl)thiazole-4-carboxylate Formula: C12H9BrNO3S- MolecularWeight: 327.17376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

InChI

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