[(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H23NO5S/c1-14(24)18-6-4-5-7-19(18)23-22(27)15(2)28-21(26)13-12-20(25)16-8-10-17(29-3)11-9-16/h4-11,15H,12-13H2,1-3H3,(H,23,27)/t15-/m1/s1