2-(3-bromanyl-4-pentoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-(3-bromanyl-4-pentoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-(3-bromo-4-pentoxy-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-bromo-4-pentoxyphenyl)-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4-pentoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-amoxy-3-bromo-phenyl)-4-methyl-thiazole-5-carboxylate Formula: C16H17BrNO3S- MolecularWeight: 383.28008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C)Br

InChI

InChI=1S/C16H18BrNO3S/c1-3-4-5-8-21-13-7-6-11(9-12(13)17)15-18-10(2)14(22-15)16(19)20/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)/p-1