The Biofilms Structural Database
Name
ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Molecular Weight
386.39
Isomeric SMILES
CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Formula
C17H17F3N2O3S
Identifiers
Formal Charge
0
InChI
InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24)
Atom Count
43
InChIKey
BTOQSHVHCYLPJO-UHFFFAOYSA-N
PDB codes
6HOE
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
44
Aromatic Bond Count
11
Leaving Atoms