[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H23NO3S2/c24-20(23-12-4-5-13-23)19(16-6-2-1-3-7-16)26-21(25)17-8-10-18(11-9-17)22-27-14-15-28-22/h1-3,6-11,19,22H,4-5,12-15H2/t19-/m0/s1