[2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-[4-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c24-19(15-27-21(26)12-14-28-18-5-2-1-3-6-18)22-16-8-10-17(11-9-16)23-13-4-7-20(23)25/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,24)