ethyl 5-cyano-6-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C22H25N3O3S/c1-5-15-9-8-10-16(6-2)20(15)25-19(26)13-29-21-17(12-23)11-18(14(4)24-21)22(27)28-7-3/h8-11H,5-7,13H2,1-4H3,(H,25,26)