N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-methyl-4-nitro-isoxazole-3-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-5-methyl-4-nitro-3-isoxazolecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-methyl-4-nitro-isoxazole-3-carboxamide Formula: C13H12N4O4S MolecularWeight: 320.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=NOC(=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C13H12N4O4S/c1-4-8-7(3)22-13(9(8)5-14)15-12(18)10-11(17(19)20)6(2)21-16-10/h4H2,1-3H3,(H,15,18)