[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(5S)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5S)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5S)-3-phenyl-2-isoxazolin-5-yl]methyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO4S/c1-13-7-9-16(10-8-13)23(19,20)21-12-15-11-17(18-22-15)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m0/s1