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

Systemtic Name: ethyl 5-cyano-6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-4-28-20(26)16-9-14(10-21)18(22-12(16)2)29-11-17(24)23-15-7-5-13(6-8-15)19(25)27-3/h5-9H,4,11H2,1-3H3,(H,23,24)