N-(2-methyl-5-nitro-phenyl)-2-[(2S)-3-oxidanylidenethiomorpholin-2-yl]ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(2S)-3-oxidanylidenethiomorpholin-2-yl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(2S)-3-oxo-2-thiomorpholinyl]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide Traditional Name: 2-[(2S)-3-ketothiomorpholin-2-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2C(=O)NCCS2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H]2C(=O)NCCS2

InChI

InChI=1S/C13H15N3O4S/c1-8-2-3-9(16(19)20)6-10(8)15-12(17)7-11-13(18)14-4-5-21-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,18)(H,15,17)/t11-/m0/s1