2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]-N-(tetrahydrofurfuryl)acetamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3CCCO3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3CCCO3)C#N)OC

InChI

InChI=1S/C19H21N3O4S/c1-24-16-7-12-6-13(9-20)19(22-15(12)8-17(16)25-2)27-11-18(23)21-10-14-4-3-5-26-14/h6-8,14H,3-5,10-11H2,1-2H3,(H,21,23)