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

Systemtic Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H15NO3S/c23-21(20-14-24-18-8-1-2-9-19(18)25-20)22-16-6-3-5-15(13-16)10-11-17-7-4-12-26-17/h1-9,12-13,20H,14H2,(H,22,23)