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

Systemtic Name: ethyl 6-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-chloro-3-quinolyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(2-chloro-3-quinolinyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(2-chloro-3-quinolyl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC3=CC=CC=C3N=C2Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC3=CC=CC=C3N=C2Cl)C

InChI

InChI=1S/C20H16ClN3O2S/c1-3-26-20(25)16-9-14(10-22)19(23-12(16)2)27-11-15-8-13-6-4-5-7-17(13)24-18(15)21/h4-9H,3,11H2,1-2H3