1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C17H18N2O3S/c1-10-11(2)18-17(19-12(10)3)23-9-14(20)13-4-5-15-16(8-13)22-7-6-21-15/h4-5,8H,6-7,9H2,1-3H3