1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-2-(quinoxalin-2-ylthio)ethanone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)CSC2=NC3=CC=CC=C3N=C2)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC(CN1C(=O)CSC2=NC3=CC=CC=C3N=C2)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O5S/c26-22(13-31-21-10-23-17-3-1-2-4-18(17)24-21)25-7-8-27-16(11-25)12-28-15-5-6-19-20(9-15)30-14-29-19/h1-6,9-10,16H,7-8,11-14H2