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

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H18FN3O3S/c1-3-26-19(25)16-8-14(9-21)18(23-12(16)2)27-11-17(24)22-10-13-4-6-15(20)7-5-13/h4-8H,3,10-11H2,1-2H3,(H,22,24)