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

Systemtic Name: ethyl 5-cyano-6-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-28-21(26)18-11-16(12-22)20(24-14(18)2)29-13-19(25)23-10-9-15-5-7-17(27-3)8-6-15/h5-8,11H,4,9-10,13H2,1-3H3,(H,23,25)