[5-oxidanylidene-1-(phenylmethylsulfanyl)hexan-3-yl] 3-(3-methoxybutanoyloxy)pentanoate

Systemtic Name: [5-oxidanylidene-1-(phenylmethylsulfanyl)hexan-3-yl] 3-(3-methoxybutanoyloxy)pentanoate Openeye Name: [1-(2-benzylsulfanylethyl)-3-oxo-butyl] 3-(3-methoxybutanoyloxy)pentanoate CAS Name: 3-(3-methoxy-1-oxobutoxy)pentanoic acid [5-oxo-1-(phenylmethylthio)hexan-3-yl] ester IUPAC Name: (1-benzylsulfanyl-5-oxohexan-3-yl) 3-(3-methoxybutanoyloxy)pentanoate Traditional Name: 3-(3-methoxybutanoyloxy)valeric acid [1-[2-(benzylthio)ethyl]-3-keto-butyl] ester Formula: C23H34O6S MolecularWeight: 438.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(CCSCC1=CC=CC=C1)CC(=O)C)OC(=O)CC(C)OC

Isomeric SMILES

CCC(CC(=O)OC(CCSCC1=CC=CC=C1)CC(=O)C)OC(=O)CC(C)OC

InChI

InChI=1S/C23H34O6S/c1-5-20(28-22(25)14-18(3)27-4)15-23(26)29-21(13-17(2)24)11-12-30-16-19-9-7-6-8-10-19/h6-10,18,20-21H,5,11-16H2,1-4H3