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

Systemtic Name: 2-(3-bromanyl-4-hexoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-bromo-4-hexoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-bromo-4-hexoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-hexoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-bromo-4-hexoxy-phenyl)thiazole-4-carboxylic acid Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

InChI

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