[(E)-4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-4-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-4-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]but-3-enyl] ester IUPAC Name: [(E)-4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-4-[(4S)-4-tert-butyl-2-oxazolin-2-yl]but-3-enyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=CC2=NC(CO2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C/C2=N[C@H](CO2)C(C)(C)C

InChI

InChI=1S/C18H25NO4S/c1-14-8-10-15(11-9-14)24(20,21)23-12-6-5-7-17-19-16(13-22-17)18(2,3)4/h5,7-11,16H,6,12-13H2,1-4H3/b7-5+/t16-/m1/s1