ethyl 5-cyano-6-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-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)SC(C)C(=O)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C20H20FN3O3S/c1-4-27-20(26)17-9-15(10-22)19(24-12(17)2)28-13(3)18(25)23-11-14-5-7-16(21)8-6-14/h5-9,13H,4,11H2,1-3H3,(H,23,25)/t13-/m1/s1