5-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H17NO4S/c1-25-19-13-16(14-20-21(19)27-10-9-26-20)22(24)23-17-5-2-4-15(12-17)7-8-18-6-3-11-28-18/h2-6,11-14H,9-10H2,1H3,(H,23,24)