The Biofilms Structural Database
Name
ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Molecular Weight
422.44
Isomeric SMILES
CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
Formula
C16H17F3N2O4S2
Identifiers
Formal Charge
0
InChI
InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3
Atom Count
44
InChIKey
BOOGQWHJJOHPJE-UHFFFAOYSA-N
PDB codes
6HO2
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
45
Aromatic Bond Count
11
Leaving Atoms