3,4-diethoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3,4-diethoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3,4-diethoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3,4-diethoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3,4-diethoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)OCC

InChI

InChI=1S/C23H21NO3S/c1-3-26-21-13-11-18(16-22(21)27-4-2)23(25)24-19-8-5-7-17(15-19)10-12-20-9-6-14-28-20/h5-9,11,13-16H,3-4H2,1-2H3,(H,24,25)