[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c24-19(22-12-14-28-18-5-2-1-3-6-18)15-27-21(26)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)