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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-(3-phenylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-(3-phenylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[oxo-(3-phenylpropylamino)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-(3-phenylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-(3-phenylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C21H19BrFN3O4S MolecularWeight: 508.360663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C21H19BrFN3O4S/c22-15-9-8-14(16(23)11-15)12-30-18-17(20(27)28)19(31-26-18)25-21(29)24-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,27,28)(H2,24,25,29)