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

Systemtic Name: 2-(3-bromanyl-4-propoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-bromo-4-propoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-bromo-4-propoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-propoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-bromo-4-propoxy-phenyl)thiazole-4-carboxylic acid Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)Br

InChI

InChI=1S/C13H12BrNO3S/c1-2-5-18-11-4-3-8(6-9(11)14)12-15-10(7-19-12)13(16)17/h3-4,6-7H,2,5H2,1H3,(H,16,17)