1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-propoxy-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-propoxypyrimidin-2-yl)thio]ethanone Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC=C1)SCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCOC1=NC(=NC=C1)SCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18N2O4S/c1-2-7-23-16-5-6-18-17(19-16)24-11-13(20)12-3-4-14-15(10-12)22-9-8-21-14/h3-6,10H,2,7-9,11H2,1H3