tert-butyl (2S,3R)-2-[(S)-naphthalen-1-yl(oxidanyl)methyl]-3-phenylsulfanyl-butanoate

Systemtic Name: tert-butyl (2S,3R)-2-[(S)-naphthalen-1-yl(oxidanyl)methyl]-3-phenylsulfanyl-butanoate Openeye Name: tert-butyl (2S,3R)-2-[(S)-hydroxy(1-naphthyl)methyl]-3-phenylsulfanyl-butanoate CAS Name: (2S,3R)-2-[(S)-hydroxy(1-naphthalenyl)methyl]-3-(phenylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(S)-hydroxy(naphthalen-1-yl)methyl]-3-phenylsulfanylbutanoate Traditional Name: (2S,3R)-2-[(S)-hydroxy(1-naphthyl)methyl]-3-(phenylthio)butyric acid tert-butyl ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1=CC=CC2=CC=CC=C21)O)C(=O)OC(C)(C)C)SC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@@H]([C@@H](C1=CC=CC2=CC=CC=C21)O)C(=O)OC(C)(C)C)SC3=CC=CC=C3

InChI

InChI=1S/C25H28O3S/c1-17(29-19-13-6-5-7-14-19)22(24(27)28-25(2,3)4)23(26)21-16-10-12-18-11-8-9-15-20(18)21/h5-17,22-23,26H,1-4H3/t17-,22+,23-/m1/s1