[(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22N2O5S/c1-14(20(26)22-23-21(27)16-6-4-3-5-7-16)28-19(25)13-12-18(24)15-8-10-17(29-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,27)/t14-/m1/s1