N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-fluoro-2-nitro-phenoxy)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-fluoro-2-nitro-phenoxy)acetamide Formula: C17H14FN3O4S MolecularWeight: 375.374163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14FN3O4S/c18-10-5-6-13(21(23)24)14(7-10)25-9-16(22)20-17-12(8-19)11-3-1-2-4-15(11)26-17/h5-7H,1-4,9H2,(H,20,22)