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

Systemtic Name: 2-(3-bromanyl-4-pentoxy-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(3-bromo-4-pentoxy-phenyl)thiazole-4-carboxylate CAS Name: 2-(3-bromo-4-pentoxyphenyl)-4-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4-pentoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-amoxy-3-bromo-phenyl)thiazole-4-carboxylate Formula: C15H15BrNO3S- MolecularWeight: 369.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

InChI

InChI=1S/C15H16BrNO3S/c1-2-3-4-7-20-13-6-5-10(8-11(13)16)14-17-12(9-21-14)15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)/p-1