[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-11(2)19-18(24)20-17(23)12(3)25-16(22)10-9-15(21)13-5-7-14(26-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H2,19,20,23,24)/t12-/m0/s1