(2S)-N-[2-[(2-nitrophenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(2-nitrophenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2-nitroanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(2-nitroanilino)ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(2-nitroanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(2-nitroanilino)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c23-17(15-7-3-11-21(15)18(24)16-8-4-12-27-16)20-10-9-19-13-5-1-2-6-14(13)22(25)26/h1-2,4-6,8,12,15,19H,3,7,9-11H2,(H,20,23)/t15-/m0/s1