(2S)-N-(1-adamantylmethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantylmethyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantylmethyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O2S/c24-19(17-3-1-5-23(17)20(25)18-4-2-6-26-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-17H,1,3,5,7-13H2,(H,22,24)/t14?,15?,16?,17-,21?/m0/s1