ethyl 4-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-6-ethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-6-ethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-6-ethoxy-quinoline-3-carboxylate CAS Name: 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-6-ethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-6-ethoxyquinoline-3-carboxylate Traditional Name: 4-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-6-ethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)SC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)SC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C22H21N3O3S/c1-5-27-15-7-8-19-16(10-15)20(18(12-24-19)22(26)28-6-2)29-21-17(11-23)13(3)9-14(4)25-21/h7-10,12H,5-6H2,1-4H3