[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O4S/c1-17(29)27-22(18-11-13-19(26)14-12-18)15-25(31)32-16-24(30)28-21-9-5-6-10-23(21)33-20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3,(H,27,29)(H,28,30)