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

Systemtic Name: 2-(3-bromanyl-4-propoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-bromo-4-propoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-bromo-4-propoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-bromo-4-propoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)Br

InChI

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