S-phenyl (2S,3S)-2-methyl-3-oxidanyl-3-(4-phenylsulfanyloxan-4-yl)propanethioate

Systemtic Name: S-phenyl (2S,3S)-2-methyl-3-oxidanyl-3-(4-phenylsulfanyloxan-4-yl)propanethioate Openeye Name: S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(4-phenylsulfanyltetrahydropyran-4-yl)propanethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-[4-(phenylthio)-4-oxanyl]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(4-phenylsulfanyloxan-4-yl)propanethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-[4-(phenylthio)tetrahydropyran-4-yl]propanethioic acid S-phenyl ester Formula: C21H24O3S2 MolecularWeight: 388.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1(CCOCC1)SC2=CC=CC=C2)O)C(=O)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1(CCOCC1)SC2=CC=CC=C2)O)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C21H24O3S2/c1-16(20(23)25-17-8-4-2-5-9-17)19(22)21(12-14-24-15-13-21)26-18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3/t16-,19-/m0/s1