2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide Formula: C23H18ClNO3S MolecularWeight: 423.91192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)Cl)OC1

InChI

InChI=1S/C23H18ClNO3S/c24-20-13-17(14-21-23(20)28-10-3-9-27-21)15-22(26)25-18-5-1-4-16(12-18)7-8-19-6-2-11-29-19/h1-2,4-6,11-14H,3,9-10,15H2,(H,25,26)