3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenyl-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenyl-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-3-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]-2-phenyl-propanoic acid CAS Name: 3-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]-2-phenyl-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenylpropanoic acid Traditional Name: 2-(benzylthio)-3-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]-2-phenyl-propionic acid Formula: C27H25NO4S MolecularWeight: 459.5567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COCC(C3=CC=CC=C3)(C(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COCC(C3=CC=CC=C3)(C(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO4S/c1-20-24(28-25(32-20)22-13-7-3-8-14-22)17-31-19-27(26(29)30,23-15-9-4-10-16-23)33-18-21-11-5-2-6-12-21/h2-16H,17-19H2,1H3,(H,29,30)