[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-18(28)26-22(19-10-4-2-5-11-19)16-25(30)31-17-24(29)27-21-14-8-9-15-23(21)32-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m1/s1