[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-3-19(24)21-15-6-4-14(5-7-15)18(23)12-28-20(25)13(2)29-17-10-8-16(9-11-17)22(26)27/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m0/s1