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

Systemtic Name: ethyl 5-cyano-6-[(2-ethoxyphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(2-ethoxyphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-ethoxyphenyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2-ethoxyphenyl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-ethoxybenzyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C19H20N2O3S/c1-4-23-17-9-7-6-8-14(17)12-25-18-15(11-20)10-16(13(3)21-18)19(22)24-5-2/h6-10H,4-5,12H2,1-3H3