[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H23NO5S/c1-3-21(26)23-17-8-4-16(5-9-17)20(25)14-28-22(27)13-12-19(24)15-6-10-18(29-2)11-7-15/h4-11H,3,12-14H2,1-2H3,(H,23,26)