[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16FN3O6S MolecularWeight: 421.399543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O6S/c19-11-5-6-12(14(9-11)22(26)27)20-16(23)10-28-18(25)13-3-1-7-21(13)17(24)15-4-2-8-29-15/h2,4-6,8-9,13H,1,3,7,10H2,(H,20,23)/t13-/m0/s1