ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-phenylsulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-phenylsulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-phenylsulfanyl-pyridine-4-carboxylate CAS Name: 2-tert-butyl-3-chloro-5-cyano-6-(phenylthio)-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-phenylsulfanylpyridine-4-carboxylate Traditional Name: 2-tert-butyl-3-chloro-5-cyano-6-(phenylthio)isonicotinic acid ethyl ester Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1Cl)C(C)(C)C)SC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1Cl)C(C)(C)C)SC2=CC=CC=C2)C#N

InChI

InChI=1S/C19H19ClN2O2S/c1-5-24-18(23)14-13(11-21)17(25-12-9-7-6-8-10-12)22-16(15(14)20)19(2,3)4/h6-10H,5H2,1-4H3