3-[[2,3-bis(fluoranyl)phenyl]methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[2,3-bis(fluoranyl)phenyl]methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2,3-difluorophenyl)methoxy]-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2,3-difluorophenyl)methoxy]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2,3-difluorobenzyl)oxy-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H17F2N3O4S MolecularWeight: 385.385686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F2N3O4S/c1-8(2)6-19-16(24)20-14-11(15(22)23)13(21-26-14)25-7-9-4-3-5-10(17)12(9)18/h3-5,8H,6-7H2,1-2H3,(H,22,23)(H2,19,20,24)