tert-butyl (2S,3R)-2-methyl-3-naphthalen-1-yl-3-oxidanyl-2-(phenylsulfanylmethyl)propanoate

Systemtic Name: tert-butyl (2S,3R)-2-methyl-3-naphthalen-1-yl-3-oxidanyl-2-(phenylsulfanylmethyl)propanoate Openeye Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-(1-naphthyl)-2-(phenylsulfanylmethyl)propanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-3-(1-naphthalenyl)-2-[(phenylthio)methyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-(phenylsulfanylmethyl)propanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-3-(1-naphthyl)-2-[(phenylthio)methyl]propionic acid tert-butyl ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CSC1=CC=CC=C1)C(C2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

C[C@](CSC1=CC=CC=C1)([C@@H](C2=CC=CC3=CC=CC=C32)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28O3S/c1-24(2,3)28-23(27)25(4,17-29-19-13-6-5-7-14-19)22(26)21-16-10-12-18-11-8-9-15-20(18)21/h5-16,22,26H,17H2,1-4H3/t22-,25+/m1/s1