5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]amino]-4-methyl-5-oxo-pentanoic acid CAS Name: 5-[[5-cyano-4-(2-fluorophenyl)-2-thiazolyl]amino]-4-methyl-5-oxopentanoic acid IUPAC Name: 5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxopentanoic acid Traditional Name: 5-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]amino]-5-keto-4-methyl-valeric acid Formula: C16H14FN3O3S MolecularWeight: 347.364063

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C(=O)NC1=NC(=C(S1)C#N)C2=CC=CC=C2F

Isomeric SMILES

CC(CCC(=O)O)C(=O)NC1=NC(=C(S1)C#N)C2=CC=CC=C2F

InChI

InChI=1S/C16H14FN3O3S/c1-9(6-7-13(21)22)15(23)20-16-19-14(12(8-18)24-16)10-4-2-3-5-11(10)17/h2-5,9H,6-7H2,1H3,(H,21,22)(H,19,20,23)