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

Systemtic Name: ethyl 5-cyano-6-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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=CC(=C2)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-5-28-20(25)15-8-13(10-21)19(22-12(15)2)29-11-18(24)23-16-9-14(26-3)6-7-17(16)27-4/h6-9H,5,11H2,1-4H3,(H,23,24)