[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-13(29-18-9-7-17(8-10-18)22(26)27)20(25)28-12-19(24)16-5-3-15(4-6-16)11-21-14(2)23/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1