3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-(4-pyrrolidinobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C20H23ClF2N4O4S MolecularWeight: 488.935826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)O

Isomeric SMILES

C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)O

InChI

InChI=1S/C20H23ClF2N4O4S/c21-12-9-14(22)13(15(23)10-12)11-31-17-16(19(28)29)18(32-26-17)25-20(30)24-5-1-2-6-27-7-3-4-8-27/h9-10H,1-8,11H2,(H,28,29)(H2,24,25,30)