[(E,3R,4S)-1-tert-butylsulfanyl-4-methyl-5-(triphenylmethyl)oxy-pent-1-en-3-yl] propanoate

Systemtic Name: [(E,3R,4S)-1-tert-butylsulfanyl-4-methyl-5-(triphenylmethyl)oxy-pent-1-en-3-yl] propanoate Openeye Name: [(E,1R)-3-tert-butylsulfanyl-1-[(1S)-1-methyl-2-trityloxy-ethyl]allyl] propanoate CAS Name: propanoic acid [(E,3R,4S)-1-(tert-butylthio)-4-methyl-5-(triphenylmethyl)oxypent-1-en-3-yl] ester IUPAC Name: [(E,3R,4S)-1-tert-butylsulfanyl-4-methyl-5-trityloxypent-1-en-3-yl] propanoate Traditional Name: propionic acid [(E,1R)-3-(tert-butylthio)-1-[(1S)-1-methyl-2-trityloxy-ethyl]allyl] ester Formula: C32H38O3S MolecularWeight: 502.70732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C=CSC(C)(C)C)C(C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)O[C@@H](/C=C/SC(C)(C)C)[C@@H](C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H38O3S/c1-6-30(33)35-29(22-23-36-31(3,4)5)25(2)24-34-32(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,25,29H,6,24H2,1-5H3/b23-22+/t25-,29-/m0/s1