S-tert-butyl (2R,3R)-4-methylidene-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenyl-pyrrolidine-3-carbothioate

Systemtic Name: S-tert-butyl (2R,3R)-4-methylidene-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenyl-pyrrolidine-3-carbothioate Openeye Name: S-tert-butyl (2R,3R)-4-methylene-2-phenyl-1-[(S)-p-tolylsulfinyl]pyrrolidine-3-carbothioate CAS Name: (2R,3R)-4-methylene-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenyl-3-pyrrolidinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R,3R)-4-methylidene-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenylpyrrolidine-3-carbothioate Traditional Name: (2R,3R)-4-methylene-2-phenyl-1-[(S)-p-tolylsulfinyl]pyrrolidine-3-carbothioic acid S-tert-butyl ester Formula: C23H27NO2S2 MolecularWeight: 413.59598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)N2CC(=C)C(C2C3=CC=CC=C3)C(=O)SC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N2CC(=C)[C@H]([C@@H]2C3=CC=CC=C3)C(=O)SC(C)(C)C

InChI

InChI=1S/C23H27NO2S2/c1-16-11-13-19(14-12-16)28(26)24-15-17(2)20(22(25)27-23(3,4)5)21(24)18-9-7-6-8-10-18/h6-14,20-21H,2,15H2,1,3-5H3/t20-,21+,28+/m1/s1