ethyl (5S)-5-cyano-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-pentanoate

Systemtic Name: ethyl (5S)-5-cyano-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-pentanoate Openeye Name: ethyl (5S)-5-cyano-5-[4-(4-fluorophenyl)thiazol-2-yl]-4-oxo-pentanoate CAS Name: (5S)-5-cyano-5-[4-(4-fluorophenyl)-2-thiazolyl]-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl (5S)-5-cyano-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxopentanoate Traditional Name: (5S)-5-cyano-5-[4-(4-fluorophenyl)thiazol-2-yl]-4-keto-valeric acid ethyl ester Formula: C17H15FN2O3S MolecularWeight: 346.376003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CCC(=O)[C@H](C#N)C1=NC(=CS1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN2O3S/c1-2-23-16(22)8-7-15(21)13(9-19)17-20-14(10-24-17)11-3-5-12(18)6-4-11/h3-6,10,13H,2,7-8H2,1H3/t13-/m0/s1