3-[[4-chloranyl-2,5-bis(fluoranyl)phenyl]methoxy]-5-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2,5-bis(fluoranyl)phenyl]methoxy]-5-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2,5-difluoro-phenyl)methoxy]-5-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2,5-difluorophenyl)methoxy]-5-[[[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2,5-difluorophenyl)methoxy]-5-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2,5-difluoro-benzyl)oxy-5-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)butylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C22H26ClF2N5O4S MolecularWeight: 529.987746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC1CN2CCCCNC(=O)NC3=C(C(=NS3)OCC4=CC(=C(C=C4F)Cl)F)C(=O)O

Isomeric SMILES

CN1CC2CC1CN2CCCCNC(=O)NC3=C(C(=NS3)OCC4=CC(=C(C=C4F)Cl)F)C(=O)O

InChI

InChI=1S/C22H26ClF2N5O4S/c1-29-9-14-7-13(29)10-30(14)5-3-2-4-26-22(33)27-20-18(21(31)32)19(28-35-20)34-11-12-6-17(25)15(23)8-16(12)24/h6,8,13-14H,2-5,7,9-11H2,1H3,(H,31,32)(H2,26,27,33)