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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC(=CC=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC2=CC(=CC=C2)F)C

InChI

InChI=1S/C19H18FN3O3S/c1-4-26-19(25)16-8-13(10-21)18(22-11(16)2)27-12(3)17(24)23-15-7-5-6-14(20)9-15/h5-9,12H,4H2,1-3H3,(H,23,24)/t12-/m1/s1