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

Systemtic Name: 2-(3-bromanyl-4-hexoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-(3-bromo-4-hexoxy-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-bromo-4-hexoxyphenyl)-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-bromo-4-hexoxy-phenyl)-4-methyl-thiazole-5-carboxylate Formula: C17H19BrNO3S- MolecularWeight: 397.30666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C)Br

InChI

InChI=1S/C17H20BrNO3S/c1-3-4-5-6-9-22-14-8-7-12(10-13(14)18)16-19-11(2)15(23-16)17(20)21/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)/p-1