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

Systemtic Name: 2-(5-bromanyl-3-methoxy-2-propoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(5-bromo-3-methoxy-2-propoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(5-bromo-3-methoxy-2-propoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(5-bromo-3-methoxy-2-propoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(5-bromo-3-methoxy-2-propoxy-phenyl)thiazole-4-carboxylic acid Formula: C14H14BrNO4S MolecularWeight: 372.23426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=NC(=CS2)C(=O)O)Br)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=NC(=CS2)C(=O)O)Br)OC

InChI

InChI=1S/C14H14BrNO4S/c1-3-4-20-12-9(5-8(15)6-11(12)19-2)13-16-10(7-21-13)14(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)