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

Systemtic Name: 2-(5-bromanyl-2-butoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-(5-bromo-2-butoxy-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(5-bromo-2-butoxyphenyl)-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-(5-bromo-2-butoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(5-bromo-2-butoxy-phenyl)-4-methyl-thiazole-5-carboxylate Formula: C15H15BrNO3S- MolecularWeight: 369.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C2=NC(=C(S2)C(=O)[O-])C

InChI

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