(2S)-1-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[2-[(4-tert-butylphenyl)thio]phenoxy]ethyl]proline Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OCCN3CCCC3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OCCN3CCC[C@H]3C(=O)O

InChI

InChI=1S/C23H29NO3S/c1-23(2,3)17-10-12-18(13-11-17)28-21-9-5-4-8-20(21)27-16-15-24-14-6-7-19(24)22(25)26/h4-5,8-13,19H,6-7,14-16H2,1-3H3,(H,25,26)/t19-/m0/s1