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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(cyclopropylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(cyclopropylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[(cyclopropylmethylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(cyclopropylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(cyclopropylmethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H15BrFN3O4S MolecularWeight: 444.275403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C16H15BrFN3O4S/c17-10-4-3-9(11(18)5-10)7-25-13-12(15(22)23)14(26-21-13)20-16(24)19-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,22,23)(H2,19,20,24)