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

Systemtic Name: tert-butyl (2R,4R)-4-(4-hydroxyphenyl)sulfanyl-2-[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,4R)-4-(4-hydroxyphenyl)sulfanyl-2-[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: (2R,4R)-4-[(4-hydroxyphenyl)thio]-2-[[(4-hydroxyphenyl)thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4R)-4-(4-hydroxyphenyl)sulfanyl-2-[(4-hydroxyphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: (2R,4R)-4-[(4-hydroxyphenyl)thio]-2-[[(4-hydroxyphenyl)thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CSC2=CC=C(C=C2)O)SC3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CSC2=CC=C(C=C2)O)SC3=CC=C(C=C3)O

InChI

InChI=1S/C22H27NO4S2/c1-22(2,3)27-21(26)23-13-20(29-19-10-6-17(25)7-11-19)12-15(23)14-28-18-8-4-16(24)5-9-18/h4-11,15,20,24-25H,12-14H2,1-3H3/t15-,20-/m1/s1