S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-propanoylsulfanyl-propyl] propanethioate

Systemtic Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-propanoylsulfanyl-propyl] propanethioate Openeye Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-propanoylsulfanyl-propyl] propanethioate CAS Name: propanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-(1-oxopropylthio)propyl] ester IUPAC Name: S-[(2S)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-propanoylsulfanylpropyl] propanethioate Traditional Name: propanethioic acid S-[(2S)-3-[(4-methoxyphenyl)-diphenyl-methoxy]-2-(propionylthio)propyl] ester Formula: C29H32O4S2 MolecularWeight: 508.69198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32O4S2/c1-4-27(30)34-21-26(35-28(31)5-2)20-33-29(22-12-8-6-9-13-22,23-14-10-7-11-15-23)24-16-18-25(32-3)19-17-24/h6-19,26H,4-5,20-21H2,1-3H3/t26-/m0/s1