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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O5S/c1-8-3-4-10(11(17)5-8)7-25-13-12(15(22)23)14(26-20-13)19-16(24)18-6-9(2)21/h3-5,9,21H,6-7H2,1-2H3,(H,22,23)(H2,18,19,24)