[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c25-20(23-11-13-29-16-17-6-2-1-3-7-17)15-28-22(27)18-8-4-9-19(14-18)24-12-5-10-21(24)26/h1-4,6-9,14H,5,10-13,15-16H2,(H,23,25)