ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-2-mesidino-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(C=C(C=C2C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(C=C(C=C2C)C)C)C

InChI

InChI=1S/C21H23N3O3S/c1-6-27-21(26)17-9-16(10-22)20(23-15(17)5)28-11-18(25)24-19-13(3)7-12(2)8-14(19)4/h7-9H,6,11H2,1-5H3,(H,24,25)