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

Systemtic Name: 4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]amino]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[[5-cyano-4-(2-fluorophenyl)-2-thiazolyl]amino]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]amino]-4-keto-3-methyl-butyric acid Formula: C15H12FN3O3S MolecularWeight: 333.337483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12FN3O3S/c1-8(6-12(20)21)14(22)19-15-18-13(11(7-17)23-15)9-4-2-3-5-10(9)16/h2-5,8H,6H2,1H3,(H,20,21)(H,18,19,22)