(2,6-dimethylphenyl) (2S,3R)-2-methyl-3-(1-methyl-4-phenylsulfanyl-piperidin-4-yl)-3-oxidanyl-propanoate

Systemtic Name: (2,6-dimethylphenyl) (2S,3R)-2-methyl-3-(1-methyl-4-phenylsulfanyl-piperidin-4-yl)-3-oxidanyl-propanoate Openeye Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(1-methyl-4-phenylsulfanyl-4-piperidyl)propanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-3-[1-methyl-4-(phenylthio)-4-piperidinyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(1-methyl-4-phenylsulfanylpiperidin-4-yl)propanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-3-[1-methyl-4-(phenylthio)-4-piperidyl]propionic acid (2,6-dimethylphenyl) ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C2(CCN(CC2)C)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@@H](C)[C@H](C2(CCN(CC2)C)SC3=CC=CC=C3)O

InChI

InChI=1S/C24H31NO3S/c1-17-9-8-10-18(2)21(17)28-23(27)19(3)22(26)24(13-15-25(4)16-14-24)29-20-11-6-5-7-12-20/h5-12,19,22,26H,13-16H2,1-4H3/t19-,22+/m0/s1