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

Systemtic Name: (2S)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-chloro-5-nitro-benzyl)-N-methyl-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H18ClN3O4S/c1-20(11-12-10-13(22(25)26)6-7-14(12)19)17(23)15-4-2-8-21(15)18(24)16-5-3-9-27-16/h3,5-7,9-10,15H,2,4,8,11H2,1H3/t15-/m0/s1