[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)C)C#N

InChI

InChI=1S/C21H18FN3O3S/c1-12-17(13(2)24-20(27)18(12)9-23)7-8-19(26)28-10-16-11-29-21(25-16)14-3-5-15(22)6-4-14/h3-6,11H,7-8,10H2,1-2H3,(H,24,27)