pentyl 2-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate

Systemtic Name: pentyl 2-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate Openeye Name: pentyl 2-acetylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate CAS Name: 2-(acetylthio)-4-oxo-4-(4-phenoxyphenyl)butanoic acid pentyl ester IUPAC Name: pentyl 2-acetylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate Traditional Name: 2-(acetylthio)-4-keto-4-(4-phenoxyphenyl)butyric acid amyl ester Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCCCCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C23H26O5S/c1-3-4-8-15-27-23(26)22(29-17(2)24)16-21(25)18-11-13-20(14-12-18)28-19-9-6-5-7-10-19/h5-7,9-14,22H,3-4,8,15-16H2,1-2H3