2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19N3O3S/c1-2-14-3-5-18-15(9-14)10-16(12-23)22(25-18)29-13-21(26)24-17-4-6-19-20(11-17)28-8-7-27-19/h3-6,9-11H,2,7-8,13H2,1H3,(H,24,26)