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

Systemtic Name: 2-(3-bromanyl-4-butoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-bromo-4-butoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-bromo-4-butoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-bromo-4-butoxy-phenyl)thiazole-4-carboxylic acid Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

InChI

InChI=1S/C14H14BrNO3S/c1-2-3-6-19-12-5-4-9(7-10(12)15)13-16-11(8-20-13)14(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)