N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-isopropyl-4-nitro-isoxazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-propan-2-yl-3-isoxazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-5-propan-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-isopropyl-4-nitro-isoxazole-3-carboxamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-8(2)14-13(20(22)23)12(19-24-14)15(21)18-16-10(7-17)9-5-3-4-6-11(9)25-16/h8H,3-6H2,1-2H3,(H,18,21)