ethyl 2-ethanoylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-ethanoylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 2-acetylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxo-butanoate CAS Name: 2-(acetylthio)-4-[4-(4-methylphenoxy)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxobutanoate Traditional Name: 2-(acetylthio)-4-keto-4-[4-(4-methylphenoxy)phenyl]butyric acid ethyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-4-25-21(24)20(27-15(3)22)13-19(23)16-7-11-18(12-8-16)26-17-9-5-14(2)6-10-17/h5-12,20H,4,13H2,1-3H3