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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)N(C)CC2=CC(=CC=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)N(C)CC2=CC(=CC=C2)F)C

InChI

InChI=1S/C21H22FN3O3S/c1-5-28-21(27)18-10-16(11-23)19(24-13(18)2)29-14(3)20(26)25(4)12-15-7-6-8-17(22)9-15/h6-10,14H,5,12H2,1-4H3/t14-/m1/s1