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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C

InChI

InChI=1S/C20H19NO6S/c1-13-4-5-14(2)19(10-13)28(23,24)27-18-8-6-16(7-9-18)20(22)25-12-17-11-15(3)26-21-17/h4-11H,12H2,1-3H3