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

Systemtic Name: 3-[(2-fluoranyl-4,6-dimethyl-phenyl)methoxy]-5-(prop-2-enylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(allylcarbamoylamino)-3-[(2-fluoro-4,6-dimethyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4,6-dimethylphenyl)methoxy]-5-[[oxo-(prop-2-enylamino)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4,6-dimethylphenyl)methoxy]-5-(prop-2-enylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(allylcarbamoylamino)-3-(2-fluoro-4,6-dimethyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O4S/c1-4-5-19-17(24)20-15-13(16(22)23)14(21-26-15)25-8-11-10(3)6-9(2)7-12(11)18/h4,6-7H,1,5,8H2,2-3H3,(H,22,23)(H2,19,20,24)