5-(2,2-dimethylpropylcarbamoylamino)-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-[(2-fluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[(2,2-dimethylpropylamino)-oxomethyl]amino]-3-[(2-fluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-[(2-fluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(neopentylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)(C)C)F

InChI

InChI=1S/C18H22FN3O4S/c1-10-5-6-11(12(19)7-10)8-26-14-13(16(23)24)15(27-22-14)21-17(25)20-9-18(2,3)4/h5-7H,8-9H2,1-4H3,(H,23,24)(H2,20,21,25)