ethyl 5-cyano-6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C26H25N3O3S/c1-5-32-26(31)21-14-20(15-27)25(28-18(21)4)33-23(19-9-7-6-8-10-19)24(30)29-22-13-16(2)11-12-17(22)3/h6-14,23H,5H2,1-4H3,(H,29,30)