N-[(2S)-3-ethanoyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]ethanamide

Systemtic Name: N-[(2S)-3-ethanoyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]ethanamide Openeye Name: N-[(2S)-3-acetyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide CAS Name: N-[(2S)-3-acetyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide IUPAC Name: N-[(2S)-3-acetyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide Traditional Name: N-[(2S)-3-acetyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN([C@@H](S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C

InChI

InChI=1S/C13H12N4O6S/c1-6(18)14-13-15-16(7(2)19)12(24-13)8-3-10-11(23-5-22-10)4-9(8)17(20)21/h3-4,12H,5H2,1-2H3,(H,14,15,18)/t12-/m0/s1