tert-butyl (1R,2R,5S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-[2-[4-(4-chlorophenyl)phenyl]ethylsulfanyl]cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1R,2R,5S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-[2-[4-(4-chlorophenyl)phenyl]ethylsulfanyl]cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R,2S,5R)-2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfanyl]-5-[(1,3-dioxoisoindolin-2-yl)methyl]cyclopentanecarboxylate CAS Name: (1R,2S,5R)-2-[2-[4-(4-chlorophenyl)phenyl]ethylthio]-5-[(1,3-dioxo-2-isoindolyl)methyl]-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2S,5R)-2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfanyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]cyclopentane-1-carboxylate Traditional Name: (1R,2S,5R)-2-[2-[4-(4-chlorophenyl)phenyl]ethylthio]-5-(phthalimidomethyl)cyclopentanecarboxylic acid tert-butyl ester Formula: C33H34ClNO4S MolecularWeight: 576.14536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCC1SCCC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SCCC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C33H34ClNO4S/c1-33(2,3)39-32(38)29-24(20-35-30(36)26-6-4-5-7-27(26)31(35)37)14-17-28(29)40-19-18-21-8-10-22(11-9-21)23-12-15-25(34)16-13-23/h4-13,15-16,24,28-29H,14,17-20H2,1-3H3/t24-,28-,29-/m0/s1