S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-pentanoylsulfanyl-propyl] pentanethioate

Systemtic Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-pentanoylsulfanyl-propyl] pentanethioate Openeye Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-pentanoylsulfanyl-propyl] pentanethioate CAS Name: pentanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxopentylthio)propyl] ester IUPAC Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-pentanoylsulfanylpropyl] pentanethioate Traditional Name: pentanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-(valerylthio)propyl] ester Formula: C33H40O4S2 MolecularWeight: 564.7983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)SCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCC

Isomeric SMILES

CCCCC(=O)SC[C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCC

InChI

InChI=1S/C33H40O4S2/c1-4-6-18-31(34)38-25-30(39-32(35)19-7-5-2)24-37-33(26-14-10-8-11-15-26,27-16-12-9-13-17-27)28-20-22-29(36-3)23-21-28/h8-17,20-23,30H,4-7,18-19,24-25H2,1-3H3/t30-/m0/s1