2-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-4-thiazolyl]acetate IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)thiazol-4-yl]acetate Formula: C12H9BrNO3S- MolecularWeight: 327.17376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

InChI

InChI=1S/C12H10BrNO3S/c1-17-10-3-2-7(4-9(10)13)12-14-8(6-18-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)/p-1