(2S)-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-keto-2-mesidino-ethyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2CCCN2C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H25N3O3S/c1-13-10-14(2)19(15(3)11-13)23-18(25)12-22-20(26)16-6-4-8-24(16)21(27)17-7-5-9-28-17/h5,7,9-11,16H,4,6,8,12H2,1-3H3,(H,22,26)(H,23,25)/t16-/m0/s1