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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H20FN3O4S MolecularWeight: 381.421803

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O4S/c1-9(2)7-19-17(24)20-15-13(16(22)23)14(21-26-15)25-8-11-5-4-10(3)6-12(11)18/h4-6,9H,7-8H2,1-3H3,(H,22,23)(H2,19,20,24)