[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-fluoroanilino)-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-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O4S/c19-12-5-7-13(8-6-12)20-16(22)11-25-18(24)14-3-1-9-21(14)17(23)15-4-2-10-26-15/h2,4-8,10,14H,1,3,9,11H2,(H,20,22)/t14-/m0/s1