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

Systemtic Name: 3-[(3-fluoranyl-2,4-dimethyl-phenyl)methoxy]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(3-fluoro-2,4-dimethyl-phenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-fluoro-2,4-dimethyl-benzyl)oxy-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H20FN3O5S MolecularWeight: 397.421203

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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)O)C)F

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O5S/c1-8-4-5-11(10(3)13(8)18)7-26-14-12(16(23)24)15(27-21-14)20-17(25)19-6-9(2)22/h4-5,9,22H,6-7H2,1-3H3,(H,23,24)(H2,19,20,25)