S-phenyl (2S,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanethioate

Systemtic Name: S-phenyl (2S,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanethioate Openeye Name: S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propanethioic acid S-phenyl ester Formula: C21H24O2S2 MolecularWeight: 372.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1(CCCC1)SC2=CC=CC=C2)O)C(=O)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1(CCCC1)SC2=CC=CC=C2)O)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C21H24O2S2/c1-16(20(23)24-17-10-4-2-5-11-17)19(22)21(14-8-9-15-21)25-18-12-6-3-7-13-18/h2-7,10-13,16,19,22H,8-9,14-15H2,1H3/t16-,19-/m0/s1