1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methoxy-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methoxy-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methoxy-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methoxy-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methoxy-2-quinolyl)thio]ethanone Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO4S/c1-3-14-10-15-4-6-17(25-2)12-18(15)23-22(14)28-13-19(24)16-5-7-20-21(11-16)27-9-8-26-20/h4-7,10-12H,3,8-9,13H2,1-2H3