(2-oxidanylidene-2-thiophen-2-yl-ethyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (3S)-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-4-nitro-phenyl)pyrrolidine-3-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O7S/c1-26-15-8-12(20(24)25)4-5-13(15)19-9-11(7-17(19)22)18(23)27-10-14(21)16-3-2-6-28-16/h2-6,8,11H,7,9-10H2,1H3/t11-/m0/s1