N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-12(2)16(17(22)19-9-3-4-10-19)18-15(21)11-25-14-7-5-13(6-8-14)20(23)24/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,18,21)/t16-/m0/s1