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

Systemtic Name: 3-[(3-fluoranyl-2,4-dimethyl-phenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(3-fluoro-2,4-dimethyl-phenyl)methoxy]-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-fluoro-2,4-dimethyl-benzyl)oxy-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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