ethyl 5-cyano-6-[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC(=CC(=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC(=CC(=C2)OC)OC)C

InChI

InChI=1S/C21H23N3O5S/c1-6-29-21(26)18-7-14(11-22)20(23-12(18)2)30-13(3)19(25)24-15-8-16(27-4)10-17(9-15)28-5/h7-10,13H,6H2,1-5H3,(H,24,25)