Ethyl 4-[methyl(2-phenyl-4-thiazolyl)amino]benzoate
C19H18N2O2S
880090-88-0 Copyright (C) 2025 ACS
 24 26  0  0  0  0  0  0  0  0999 V2000
    8.3658    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7006    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0344    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3681    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7018    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5947    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    4.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647    1.9983    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8712    2.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    2.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    2.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    5.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0333    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0333    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
880090-88-0

> <cas.index.name>
Benzoic acid, 4-[methyl(2-phenyl-4-thiazolyl)amino]-, ethyl ester

> <molecular.formula>
C19H18N2O2S

> <molecular.weight>
338.43

> <boiling.point.predicted>
517.149±56.00 °C    Press: 760.00 Torr

> <density.predicted>
1.224±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.973±0.10    Most Basic Temp: 25 °C

$$$$
