3-(1,3-benzodioxol-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H17NO3S/c24-22(11-8-17-7-10-20-21(14-17)26-15-25-20)23-18-4-1-3-16(13-18)6-9-19-5-2-12-27-19/h1-5,7,10,12-14H,8,11,15H2,(H,23,24)