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

Systemtic Name: 5-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-4,4-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-cyano-4-(3-fluorophenyl)thiazol-2-yl]amino]-4,4-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[5-cyano-4-(3-fluorophenyl)-2-thiazolyl]amino]-4,4-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-4,4-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[5-cyano-4-(3-fluorophenyl)thiazol-2-yl]amino]-5-keto-4,4-dimethyl-valeric acid Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O3S/c1-17(2,7-6-13(22)23)15(24)21-16-20-14(12(9-19)25-16)10-4-3-5-11(18)8-10/h3-5,8H,6-7H2,1-2H3,(H,22,23)(H,20,21,24)