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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)Br

InChI

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