tert-butyl (2R,5S)-2,5-bis[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,5S)-2,5-bis[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,5S)-2,5-bis[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2,5-bis[[(4-hydroxyphenyl)thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5S)-2,5-bis[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2,5-bis[[(4-hydroxyphenyl)thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1CSC2=CC=C(C=C2)O)CSC3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CC[C@H]1CSC2=CC=C(C=C2)O)CSC3=CC=C(C=C3)O

InChI

InChI=1S/C23H29NO4S2/c1-23(2,3)28-22(27)24-16(14-29-20-10-6-18(25)7-11-20)4-5-17(24)15-30-21-12-8-19(26)9-13-21/h6-13,16-17,25-26H,4-5,14-15H2,1-3H3/t16-,17+