ethyl 2-(2-methylpropanoylsulfanyl)-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate

Systemtic Name: ethyl 2-(2-methylpropanoylsulfanyl)-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate Openeye Name: ethyl 2-(2-methylpropanoylsulfanyl)-4-oxo-4-(4-phenoxyphenyl)butanoate CAS Name: 2-[(2-methyl-1-oxopropyl)thio]-4-oxo-4-(4-phenoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropanoylsulfanyl)-4-oxo-4-(4-phenoxyphenyl)butanoate Traditional Name: 2-(isobutyrylthio)-4-keto-4-(4-phenoxyphenyl)butyric acid ethyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O5S/c1-4-26-21(24)20(28-22(25)15(2)3)14-19(23)16-10-12-18(13-11-16)27-17-8-6-5-7-9-17/h5-13,15,20H,4,14H2,1-3H3