2-[[4-(4-bromophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[4-(4-bromophenyl)phenoxy]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[4-(4-bromophenyl)phenoxy]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[4-(4-bromophenyl)phenoxy]methyl]thiazole-4-carboxylic acid Formula: C17H12BrNO3S MolecularWeight: 390.25108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)OCC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)OCC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C17H12BrNO3S/c18-13-5-1-11(2-6-13)12-3-7-14(8-4-12)22-9-16-19-15(10-23-16)17(20)21/h1-8,10H,9H2,(H,20,21)