N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C19H19N3O5S/c1-26-15-8-7-12(22(24)25)9-16(15)27-11-18(23)21-19-14(10-20)13-5-3-2-4-6-17(13)28-19/h7-9H,2-6,11H2,1H3,(H,21,23)