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

Systemtic Name: ethyl 6-chloranyl-4-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]quinoline-3-carboxylate CAS Name: 6-chloro-4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylquinoline-3-carboxylate Traditional Name: 6-chloro-4-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]quinoline-3-carboxylic acid ethyl ester Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=C(C(=CC(=N3)C)C)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=C(C(=CC(=N3)C)C)C#N)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-4-26-20(25)16-10-23-17-6-5-13(21)8-14(17)18(16)27-19-15(9-22)11(2)7-12(3)24-19/h5-8,10H,4H2,1-3H3