(2S)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O5S/c21-14-6-5-12(20(24)25)9-11(14)10-18-16(22)13-3-1-7-19(13)17(23)15-4-2-8-26-15/h2,4-6,8-9,13,21H,1,3,7,10H2,(H,18,22)/t13-/m0/s1