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

Systemtic Name: 2-(5-bromanyl-2-pentoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(5-bromo-2-pentoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(5-bromo-2-pentoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(5-bromo-2-pentoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(2-amoxy-5-bromo-phenyl)thiazole-4-carboxylic acid Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)O

InChI

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