methyl 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylate Openeye Name: methyl 3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)isothiazole-4-carboxylate CAS Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-(4-bromo-2,6-difluoro-benzyl)oxy-5-(4-pyrrolidinobutylcarbamoylamino)isothiazole-4-carboxylic acid methyl ester Formula: C21H25BrF2N4O4S MolecularWeight: 547.413406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SN=C1OCC2=C(C=C(C=C2F)Br)F)NC(=O)NCCCCN3CCCC3

Isomeric SMILES

COC(=O)C1=C(SN=C1OCC2=C(C=C(C=C2F)Br)F)NC(=O)NCCCCN3CCCC3

InChI

InChI=1S/C21H25BrF2N4O4S/c1-31-20(29)17-18(32-12-14-15(23)10-13(22)11-16(14)24)27-33-19(17)26-21(30)25-6-2-3-7-28-8-4-5-9-28/h10-11H,2-9,12H2,1H3,(H2,25,26,30)