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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-14-7-4-8-15(2)19(14)22-18(25)13-23(3)20(26)16-9-5-11-24(16)21(27)17-10-6-12-28-17/h4,6-8,10,12,16H,5,9,11,13H2,1-3H3,(H,22,25)/t16-/m0/s1