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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-2-quinolyl)thio]ethanone Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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