1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(6-fluoranylquinolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(6-fluoranylquinolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-[(6-fluoro-4-quinolyl)sulfanyl]ethanone CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-2-[(6-fluoro-4-quinolinyl)thio]ethanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(6-fluoroquinolin-4-yl)sulfanylethanone Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-2-[(6-fluoro-4-quinolyl)thio]ethanone Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC(CN1C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21FN2O5S/c24-15-1-3-19-18(9-15)22(5-6-25-19)32-13-23(27)26-7-8-28-17(11-26)12-29-16-2-4-20-21(10-16)31-14-30-20/h1-6,9-10,17H,7-8,11-14H2