S-[(1S,2R)-1-phenyl-2-pyrrolidin-1-yl-propyl] benzenecarbothioate

Systemtic Name: S-[(1S,2R)-1-phenyl-2-pyrrolidin-1-yl-propyl] benzenecarbothioate Openeye Name: S-[(1S,2R)-1-phenyl-2-pyrrolidin-1-yl-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1S,2R)-1-phenyl-2-(1-pyrrolidinyl)propyl] ester IUPAC Name: S-[(1S,2R)-1-phenyl-2-pyrrolidin-1-ylpropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1S,2R)-1-phenyl-2-pyrrolidino-propyl] ester Formula: C20H23NOS MolecularWeight: 325.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)SC(=O)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)SC(=O)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H23NOS/c1-16(21-14-8-9-15-21)19(17-10-4-2-5-11-17)23-20(22)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19-/m1/s1