1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,6,8-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]ethanone Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C)C

InChI

InChI=1S/C22H21NO3S/c1-13-8-14(2)21-17(9-13)10-15(3)22(23-21)27-12-18(24)16-4-5-19-20(11-16)26-7-6-25-19/h4-5,8-11H,6-7,12H2,1-3H3