ethyl 6-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(3-chloro-4-methyl-2-quinolyl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3C(=C2Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3C(=C2Cl)C)C

InChI

InChI=1S/C21H18ClN3O2S/c1-4-27-21(26)16-9-14(10-23)20(24-13(16)3)28-11-18-19(22)12(2)15-7-5-6-8-17(15)25-18/h5-9H,4,11H2,1-3H3