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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-2-(1,3-benzothiazol-2-ylthio)ethanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-2-(1,3-benzothiazol-2-ylthio)ethanone Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)CSC2=NC3=CC=CC=C3S2)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC(CN1C(=O)CSC2=NC3=CC=CC=C3S2)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O5S2/c24-20(12-29-21-22-16-3-1-2-4-19(16)30-21)23-7-8-25-15(10-23)11-26-14-5-6-17-18(9-14)28-13-27-17/h1-6,9,15H,7-8,10-13H2