[(1R,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]but-3-en-2-yl] benzoate

Systemtic Name: [(1R,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]but-3-en-2-yl] benzoate Openeye Name: [(1R)-1-[(R)-methylsulfonyloxy-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl]allyl] benzoate CAS Name: benzoic acid [(1R,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]but-3-en-2-yl] ester IUPAC Name: [(1R,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]but-3-en-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(R)-methylsulfonyloxy-[(4S)-2-phenyl-2-oxazolin-4-yl]methyl]allyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1COC(=N1)C2=CC=CC=C2)C(C=C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O[C@H]([C@@H]1COC(=N1)C2=CC=CC=C2)[C@@H](C=C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO6S/c1-3-18(27-21(23)16-12-8-5-9-13-16)19(28-29(2,24)25)17-14-26-20(22-17)15-10-6-4-7-11-15/h3-13,17-19H,1,14H2,2H3/t17-,18+,19+/m0/s1