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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2-phenoxyanilino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(2-phenoxyanilino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2-phenoxyanilino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(2-phenoxyanilino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C

InChI

InChI=1S/C24H21N3O4S/c1-3-30-24(29)19-13-17(14-25)23(26-16(19)2)32-15-22(28)27-20-11-7-8-12-21(20)31-18-9-5-4-6-10-18/h4-13H,3,15H2,1-2H3,(H,27,28)