N'-(4-methyl-2-nitro-phenyl)-N-(2-oxidanylidenethiolan-3-yl)ethanediamide

Systemtic Name: N'-(4-methyl-2-nitro-phenyl)-N-(2-oxidanylidenethiolan-3-yl)ethanediamide Openeye Name: N'-(4-methyl-2-nitro-phenyl)-N-(2-oxotetrahydrothiophen-3-yl)oxamide CAS Name: N'-(4-methyl-2-nitrophenyl)-N-(2-oxo-3-thiolanyl)oxamide IUPAC Name: N'-(4-methyl-2-nitrophenyl)-N-(2-oxothiolan-3-yl)oxamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-N'-(4-methyl-2-nitro-phenyl)oxamide Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)NC2CCSC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)NC2CCSC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-7-2-3-8(10(6-7)16(20)21)14-11(17)12(18)15-9-4-5-22-13(9)19/h2-3,6,9H,4-5H2,1H3,(H,14,17)(H,15,18)