(4-nitrophenyl) 2-acetamido-3-(phenylcarbonylsulfanyl)propanoate

Systemtic Name: (4-nitrophenyl) 2-acetamido-3-(phenylcarbonylsulfanyl)propanoate Openeye Name: (4-nitrophenyl) 2-acetamido-3-benzoylsulfanyl-propanoate CAS Name: 2-acetamido-3-(benzoylthio)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-acetamido-3-benzoylsulfanylpropanoate Traditional Name: 2-acetamido-3-(benzoylthio)propionic acid (4-nitrophenyl) ester Formula: C18H16N2O6S MolecularWeight: 388.39444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S/c1-12(21)19-16(11-27-18(23)13-5-3-2-4-6-13)17(22)26-15-9-7-14(8-10-15)20(24)25/h2-10,16H,11H2,1H3,(H,19,21)