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

Systemtic Name: ethyl 5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C20H20FN3O3S/c1-3-27-20(26)17-10-15(11-22)19(24-13(17)2)28-12-18(25)23-9-8-14-4-6-16(21)7-5-14/h4-7,10H,3,8-9,12H2,1-2H3,(H,23,25)