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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2=O)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2=O)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-15(28-18-6-3-2-4-7-18)21(26)27-14-19(24)22-16-9-11-17(12-10-16)23-13-5-8-20(23)25/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,22,24)/t15-/m1/s1