3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-[(2-methyl-3-pyrrolidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-[(2-methyl-3-pyrrolidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-[(2-methyl-3-pyrrolidin-1-yl-propyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[[[2-methyl-3-(1-pyrrolidinyl)propyl]amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-[(2-methyl-3-pyrrolidino-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C20H24BrFN4O4S MolecularWeight: 515.396363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O)CN3CCCC3

Isomeric SMILES

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O)CN3CCCC3

InChI

InChI=1S/C20H24BrFN4O4S/c1-12(10-26-6-2-3-7-26)9-23-20(29)24-18-16(19(27)28)17(25-31-18)30-11-13-4-5-14(21)8-15(13)22/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,27,28)(H2,23,24,29)