S-(phenylmethyl) (2R,3S)-2-methyl-3-phenylsulfanyl-heptanethioate

Systemtic Name: S-(phenylmethyl) (2R,3S)-2-methyl-3-phenylsulfanyl-heptanethioate Openeye Name: S-benzyl (2R,3S)-2-methyl-3-phenylsulfanyl-heptanethioate CAS Name: (2R,3S)-2-methyl-3-(phenylthio)heptanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (2R,3S)-2-methyl-3-phenylsulfanylheptanethioate Traditional Name: (2R,3S)-2-methyl-3-(phenylthio)heptanethioic acid S-benzyl ester Formula: C21H26OS2 MolecularWeight: 358.56054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C(=O)SCC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H]([C@@H](C)C(=O)SCC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H26OS2/c1-3-4-15-20(24-19-13-9-6-10-14-19)17(2)21(22)23-16-18-11-7-5-8-12-18/h5-14,17,20H,3-4,15-16H2,1-2H3/t17-,20+/m1/s1