1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H18N2O3S2/c1-2-13-9-14-18(20-11-21-19(14)26-13)25-10-15(22)12-4-5-16-17(8-12)24-7-3-6-23-16/h4-5,8-9,11H,2-3,6-7,10H2,1H3