tert-butyl (2R,3R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoate

Systemtic Name: tert-butyl (2R,3R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoate Openeye Name: tert-butyl (2R,3R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoate CAS Name: (2R,3R)-3-[(4-methoxyphenyl)thio]-2-methyl-7-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenylheptanoate Traditional Name: (2R,3R)-3-[(4-methoxyphenyl)thio]-2-methyl-7-phenyl-enanthic acid tert-butyl ester Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]([C@@H](CCCCC1=CC=CC=C1)SC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34O3S/c1-19(24(26)28-25(2,3)4)23(29-22-17-15-21(27-5)16-18-22)14-10-9-13-20-11-7-6-8-12-20/h6-8,11-12,15-19,23H,9-10,13-14H2,1-5H3/t19-,23+/m0/s1