3-phenylpropyl (2S)-1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-phenylpropyl (2S)-1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-phenylpropyl (2S)-1-[2-oxo-2-(2-thienyl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-(1,2-dioxo-2-thiophen-2-ylethyl)-2-pyrrolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S)-1-(2-oxo-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-keto-2-(2-thienyl)acetyl]pyrrolidine-2-carboxylic acid 3-phenylpropyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=O)C2=CC=CS2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(=O)C2=CC=CS2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S/c22-18(17-11-6-14-26-17)19(23)21-12-4-10-16(21)20(24)25-13-5-9-15-7-2-1-3-8-15/h1-3,6-8,11,14,16H,4-5,9-10,12-13H2/t16-/m0/s1