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

Systemtic Name: (2S)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-13-6-3-7-14(2)18(13)22-17(24)12-21-19(25)15-8-4-10-23(15)20(26)16-9-5-11-27-16/h3,5-7,9,11,15H,4,8,10,12H2,1-2H3,(H,21,25)(H,22,24)/t15-/m0/s1