(3-methyl-1,2-oxazol-5-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C15H14N2O5S MolecularWeight: 334.34706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

InChI

InChI=1S/C15H14N2O5S/c1-11-8-14(22-17-11)9-21-15(18)13-4-2-12(3-5-13)10-23(19,20)7-6-16/h2-5,8H,7,9-10H2,1H3