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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-12(28-17-9-7-16(8-10-17)21(25)26)19(24)27-11-18(23)14-3-5-15(6-4-14)20-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1