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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O3S/c1-16(2,7-12(21)22)14(23)20-15-19-13(11(8-18)24-15)9-5-3-4-6-10(9)17/h3-6H,7H2,1-2H3,(H,21,22)(H,19,20,23)