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

Systemtic Name: tert-butyl (2S,3R)-2-[(S)-oxidanyl(phenyl)methyl]-3-phenylsulfanyl-butanoate Openeye Name: tert-butyl (2S,3R)-2-[(S)-hydroxy(phenyl)methyl]-3-phenylsulfanyl-butanoate CAS Name: (2S,3R)-2-[(S)-hydroxy(phenyl)methyl]-3-(phenylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(S)-hydroxy(phenyl)methyl]-3-phenylsulfanylbutanoate Traditional Name: (2S,3R)-2-[(S)-hydroxy(phenyl)methyl]-3-(phenylthio)butyric acid tert-butyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1=CC=CC=C1)O)C(=O)OC(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)OC(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H26O3S/c1-15(25-17-13-9-6-10-14-17)18(20(23)24-21(2,3)4)19(22)16-11-7-5-8-12-16/h5-15,18-19,22H,1-4H3/t15-,18+,19-/m1/s1