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

Systemtic Name: 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-6-methoxy-2-quinolyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H17N3O4S/c1-26-16-3-4-17-13(9-16)8-14(11-22)21(24-17)29-12-20(25)23-15-2-5-18-19(10-15)28-7-6-27-18/h2-5,8-10H,6-7,12H2,1H3,(H,23,25)