(3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate

Systemtic Name: (3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate Openeye Name: (3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b]oxazol-5-olate CAS Name: (3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b]oxazol-5-olate IUPAC Name: (3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-olate Traditional Name: (3S,7R,7aR)-3-tert-butyl-7-[(1R)-1-diphenylsulfonioethyl]-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b]oxazol-5-olate Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=C(N2C1(OCC2C(C)(C)C)C)[O-])[S+](C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H]1C=C(N2[C@@]1(OC[C@@H]2C(C)(C)C)C)[O-])[S+](C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31NO2S/c1-18(29(19-12-8-6-9-13-19)20-14-10-7-11-15-20)21-16-23(27)26-22(24(2,3)4)17-28-25(21,26)5/h6-16,18,21-22H,17H2,1-5H3/t18-,21+,22-,25-/m1/s1