[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN2O4S/c1-28-15-6-4-5-14(10-15)23-11-13(9-19(23)25)20(26)27-12-18(24)22-17-8-3-2-7-16(17)21/h2-8,10,13H,9,11-12H2,1H3,(H,22,24)/t13-/m0/s1