(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O3S/c1-14-19(15(2)26-23-14)12-25-21(24)18-5-3-4-6-20(18)27-13-17-9-7-16(11-22)8-10-17/h3-10H,12-13H2,1-2H3