(2,6-dimethylphenyl) (2S,3R,4S)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-3-oxidanyl-7-phenyl-heptanoate

Systemtic Name: (2,6-dimethylphenyl) (2S,3R,4S)-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-3-oxidanyl-7-phenyl-heptanoate Openeye Name: (2,6-dimethylphenyl) (2S,3R,4S)-3-hydroxy-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenyl-heptanoate CAS Name: (2S,3R,4S)-3-hydroxy-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenylheptanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S,3R,4S)-3-hydroxy-4-(4-methoxyphenyl)sulfanyl-2,4-dimethyl-7-phenylheptanoate Traditional Name: (2S,3R,4S)-3-hydroxy-4-[(4-methoxyphenyl)thio]-2,4-dimethyl-7-phenyl-enanthic acid (2,6-dimethylphenyl) ester Formula: C30H36O4S MolecularWeight: 492.66944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C(C)(CCCC2=CC=CC=C2)SC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@@H](C)[C@H]([C@](C)(CCCC2=CC=CC=C2)SC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C30H36O4S/c1-21-11-9-12-22(2)27(21)34-29(32)23(3)28(31)30(4,20-10-15-24-13-7-6-8-14-24)35-26-18-16-25(33-5)17-19-26/h6-9,11-14,16-19,23,28,31H,10,15,20H2,1-5H3/t23-,28+,30-/m0/s1