S-phenethyl (2S)-1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-phenethyl (2S)-1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-phenethyl (2S)-1-benzylsulfonylpyrrolidine-2-carbothioate CAS Name: (2S)-1-(phenylmethyl)sulfonyl-2-pyrrolidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl (2S)-1-benzylsulfonylpyrrolidine-2-carbothioate Traditional Name: (2S)-1-benzylsulfonylpyrrolidine-2-carbothioic acid S-phenethyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c22-20(25-15-13-17-8-3-1-4-9-17)19-12-7-14-21(19)26(23,24)16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2/t19-/m0/s1