[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)F

InChI

InChI=1S/C21H20FN3O3S/c1-11-4-7-14(8-17(11)22)24-19(26)12(2)28-21(27)15-9-18(13-5-6-13)25-20(29-3)16(15)10-23/h4,7-9,12-13H,5-6H2,1-3H3,(H,24,26)