2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-phenyloxazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-phenyl-4-oxazolyl)methylthio]benzoic acid IUPAC Name: 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-phenyloxazol-4-yl)methylthio]benzoic acid Formula: C17H13NO3S MolecularWeight: 311.35502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CO2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CO2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO3S/c19-17(20)14-8-4-5-9-15(14)22-11-13-10-21-16(18-13)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)