1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H18N2O3S2/c1-14-24-22(17-12-21(30-23(17)25-14)15-5-3-2-4-6-15)29-13-18(26)16-7-8-19-20(11-16)28-10-9-27-19/h2-8,11-12H,9-10,13H2,1H3