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

Systemtic Name: 2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]ethyl ester IUPAC Name: 2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4S)-2-phenyl-2-oxazolin-4-yl]ethyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2COC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2COC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S/c1-14-7-9-17(10-8-14)24(20,21)23-12-11-16-13-22-18(19-16)15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3/t16-/m0/s1