methyl (2S,4S)-1-[(2-fluorophenyl)methyl]-4-(thiophen-2-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2-fluorophenyl)methyl]-4-(thiophen-2-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2-fluorophenyl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2-fluorophenyl)methyl]-4-[[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2-fluorophenyl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(2-fluorobenzyl)-4-(2-thenoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=CC=C2F)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2F)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19FN2O3S/c1-24-18(23)15-9-13(20-17(22)16-7-4-8-25-16)11-21(15)10-12-5-2-3-6-14(12)19/h2-8,13,15H,9-11H2,1H3,(H,20,22)/t13-,15-/m0/s1