(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H12FN3O3S MolecularWeight: 345.348183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H12FN3O3S/c1-9(19)12(6-18)14(21)7-23-16(22)13-8-24-15(20-13)10-2-4-11(17)5-3-10/h2-5,8,12,19H,7H2,1H3