(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H21NO3S/c1-14-9-10-19(15(2)11-14)26-13-20(23)24-12-18-16(3)25-21(22-18)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3