(2-nitrophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (2-nitrophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (2-nitrobenzyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c23-19(21-11-5-6-12-21)14-28-18-10-4-2-8-16(18)20(24)27-13-15-7-1-3-9-17(15)22(25)26/h1-4,7-10H,5-6,11-14H2