propan-2-yl 2-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate

Systemtic Name: propan-2-yl 2-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate Openeye Name: isopropyl 2-acetylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate CAS Name: 2-(acetylthio)-4-oxo-4-(4-phenoxyphenyl)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-acetylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate Traditional Name: 2-(acetylthio)-4-keto-4-(4-phenoxyphenyl)butyric acid isopropyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-14(2)25-21(24)20(27-15(3)22)13-19(23)16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-12,14,20H,13H2,1-3H3