5-[4-[3,4-bis(oxidanyl)pyrrolidin-1-yl]butylcarbamoylamino]-3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide

Systemtic Name: 5-[4-[3,4-bis(oxidanyl)pyrrolidin-1-yl]butylcarbamoylamino]-3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-[4-(3,4-dihydroxypyrrolidin-1-yl)butylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[[4-(3,4-dihydroxy-1-pyrrolidinyl)butylamino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[4-(3,4-dihydroxypyrrolidin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-[4-(3,4-dihydroxypyrrolidino)butylcarbamoylamino]isothiazole-4-carboxamide Formula: C20H24ClF2N5O5S MolecularWeight: 519.949866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N)O)O

Isomeric SMILES

C1C(C(CN1CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N)O)O

InChI

InChI=1S/C20H24ClF2N5O5S/c21-10-5-12(22)11(13(23)6-10)9-33-18-16(17(24)31)19(34-27-18)26-20(32)25-3-1-2-4-28-7-14(29)15(30)8-28/h5-6,14-15,29-30H,1-4,7-9H2,(H2,24,31)(H2,25,26,32)