[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [(1S)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H16N2O6S/c24-18(13-22-21(26)17-7-4-12-30-17)29-20(19(25)14-5-2-1-3-6-14)15-8-10-16(11-9-15)23(27)28/h1-12,20H,13H2,(H,22,26)/t20-/m0/s1