2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[(2-phenylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-phenyl-4-thiazolyl)methylthio]benzoate IUPAC Name: 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-phenylthiazol-4-yl)methylthio]benzoate Formula: C17H12NO2S2- MolecularWeight: 326.41268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H13NO2S2/c19-17(20)14-8-4-5-9-15(14)21-10-13-11-22-16(18-13)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20)/p-1