1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[2-[(3-ethynylphenoxy)methyl]morpholino]-2-(quinoxalin-2-ylthio)ethanone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H21N3O3S/c1-2-17-6-5-7-18(12-17)29-15-19-14-26(10-11-28-19)23(27)16-30-22-13-24-20-8-3-4-9-21(20)25-22/h1,3-9,12-13,19H,10-11,14-16H2