N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-3-nitro-benzamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-3-nitro-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-5-29-18-9-6-13(10-17(18)25(27)28)20(26)24-21-16(12-23)15-8-7-14(22(2,3)4)11-19(15)30-21/h6,9-10,14H,5,7-8,11H2,1-4H3,(H,24,26)