S-[(2S)-2-butanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] butanethioate

Systemtic Name: S-[(2S)-2-butanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] butanethioate Openeye Name: S-[(2S)-2-butanoylsulfanyl-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] butanethioate CAS Name: butanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxobutylthio)propyl] ester IUPAC Name: S-[(2S)-2-butanoylsulfanyl-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] butanethioate Traditional Name: butanethioic acid S-[(2S)-2-(butyrylthio)-3-[(4-methoxyphenyl)-diphenyl-methoxy]propyl] ester Formula: C31H36O4S2 MolecularWeight: 536.74514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36O4S2/c1-4-12-29(32)36-23-28(37-30(33)13-5-2)22-35-31(24-14-8-6-9-15-24,25-16-10-7-11-17-25)26-18-20-27(34-3)21-19-26/h6-11,14-21,28H,4-5,12-13,22-23H2,1-3H3/t28-/m0/s1