[(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [(1S)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C20H19N3O5S/c1-12(19(26)14-3-5-16(6-4-14)21-13(2)24)27-18(25)8-7-17-22-20(23-28-17)15-9-10-29-11-15/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)/t12-/m0/s1