diethyl 2-(3-cyano-7-methoxy-2-methylsulfanyl-quinolin-4-yl)propanedioate

Systemtic Name: diethyl 2-(3-cyano-7-methoxy-2-methylsulfanyl-quinolin-4-yl)propanedioate Openeye Name: diethyl 2-(3-cyano-7-methoxy-2-methylsulfanyl-4-quinolyl)propanedioate CAS Name: 2-[3-cyano-7-methoxy-2-(methylthio)-4-quinolinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyano-7-methoxy-2-methylsulfanylquinolin-4-yl)propanedioate Traditional Name: 2-[3-cyano-7-methoxy-2-(methylthio)-4-quinolyl]malonic acid diethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=NC2=C1C=CC(=C2)OC)SC)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C(=NC2=C1C=CC(=C2)OC)SC)C#N)C(=O)OCC

InChI

InChI=1S/C19H20N2O5S/c1-5-25-18(22)16(19(23)26-6-2)15-12-8-7-11(24-3)9-14(12)21-17(27-4)13(15)10-20/h7-9,16H,5-6H2,1-4H3