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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methyl-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (3S)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methyl-3-nitro-phenyl)pyrrolidine-3-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S/c1-11-4-5-13(8-14(11)20(24)25)19-9-12(7-17(19)22)18(23)26-10-15(21)16-3-2-6-27-16/h2-6,8,12H,7,9-10H2,1H3/t12-/m0/s1