S-(4-chlorophenyl) (2S,3S)-2-phenyl-1-prop-2-enyl-pyrrolidine-3-carbothioate

Systemtic Name: S-(4-chlorophenyl) (2S,3S)-2-phenyl-1-prop-2-enyl-pyrrolidine-3-carbothioate Openeye Name: S-(4-chlorophenyl) (2S,3S)-1-allyl-2-phenyl-pyrrolidine-3-carbothioate CAS Name: (2S,3S)-2-phenyl-1-prop-2-enyl-3-pyrrolidinecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) (2S,3S)-2-phenyl-1-prop-2-enylpyrrolidine-3-carbothioate Traditional Name: (2S,3S)-1-allyl-2-phenyl-pyrrolidine-3-carbothioic acid S-(4-chlorophenyl) ester Formula: C20H20ClNOS MolecularWeight: 357.8969

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(C1C2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1CC[C@@H]([C@H]1C2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNOS/c1-2-13-22-14-12-18(19(22)15-6-4-3-5-7-15)20(23)24-17-10-8-16(21)9-11-17/h2-11,18-19H,1,12-14H2/t18-,19+/m0/s1