(2S)-N-(2-quinolin-8-ylethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2-quinolin-8-ylethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(8-quinolyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-N-[2-(8-quinolinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-quinolin-8-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(8-quinolyl)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-20(17-8-3-13-24(17)21(26)18-9-4-14-27-18)23-12-10-16-6-1-5-15-7-2-11-22-19(15)16/h1-2,4-7,9,11,14,17H,3,8,10,12-13H2,(H,23,25)/t17-/m0/s1