4-[[1-bromanyl-6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[1-bromanyl-6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[1-bromo-6-(2-phenylthiazol-4-yl)-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[1-bromo-6-(2-phenyl-4-thiazolyl)-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[1-bromo-6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[1-bromo-6-(2-phenylthiazol-4-yl)-2-naphthoxy]methyl]benzoic acid Formula: C27H18BrNO3S MolecularWeight: 516.40572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)C(=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)C(=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Br

InChI

InChI=1S/C27H18BrNO3S/c28-25-22-12-10-21(23-16-33-26(29-23)18-4-2-1-3-5-18)14-20(22)11-13-24(25)32-15-17-6-8-19(9-7-17)27(30)31/h1-14,16H,15H2,(H,30,31)