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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H15BrFN3O4S2 MolecularWeight: 464.329703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO

InChI

InChI=1S/C15H15BrFN3O4S2/c16-9-3-2-8(10(17)6-9)7-25-13-11(14(22)23)12(26-20-13)19-15(24)18-4-1-5-21/h2-3,6,21H,1,4-5,7H2,(H,22,23)(H2,18,19,24)