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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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