3-[(2-fluoranyl-4,6-dimethyl-phenyl)methoxy]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluoranyl-4,6-dimethyl-phenyl)methoxy]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4,6-dimethyl-phenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4,6-dimethylphenyl)methoxy]-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4,6-dimethylphenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4,6-dimethyl-benzyl)oxy-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H20FN3O5S MolecularWeight: 397.421203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O5S/c1-9-6-10(2)11(12(18)7-9)8-26-14-13(16(23)24)15(27-21-14)20-17(25)19-4-3-5-22/h6-7,22H,3-5,8H2,1-2H3,(H,23,24)(H2,19,20,25)