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

Systemtic Name: 2-(5-bromanyl-2-hexoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(5-bromo-2-hexoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(5-bromo-2-hexoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(5-bromo-2-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(5-bromo-2-hexoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C2=NC(=C(S2)C(=O)O)C

InChI

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