[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-fluorophenyl)-4-methyl-5-thiazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H14FN3O3S MolecularWeight: 359.374763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H14FN3O3S/c1-9(20)13(7-19)14(22)8-24-17(23)15-10(2)21-16(25-15)11-3-5-12(18)6-4-11/h3-6,13,20H,8H2,1-2H3/t13-/m1/s1