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

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)methoxy]-5-[(2-methyl-3-oxidanyl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(3-fluoro-4-methyl-phenyl)methoxy]-5-[(3-hydroxy-2-methyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(3-fluoro-4-methylphenyl)methoxy]-5-[[[(3-hydroxy-2-methylpropyl)amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3-fluoro-4-methylphenyl)methoxy]-5-[(3-hydroxy-2-methylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-fluoro-4-methyl-benzyl)oxy-5-[(3-hydroxy-2-methyl-propyl)carbamoylamino]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)CO)F

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O5S/c1-9(7-22)6-19-17(25)20-15-13(16(23)24)14(21-27-15)26-8-11-4-3-10(2)12(18)5-11/h3-5,9,22H,6-8H2,1-2H3,(H,23,24)(H2,19,20,25)