ethyl 3-phenyl-3-[2-[[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoate

Systemtic Name: ethyl 3-phenyl-3-[2-[[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-phenyl-3-[[2-[[2-(2-pyridylamino)thiazole-4-carbonyl]amino]acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[[oxo-[2-(2-pyridinylamino)-4-thiazolyl]methyl]amino]ethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-3-[[2-[[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]propanoate Traditional Name: 3-phenyl-3-[[2-[[2-(2-pyridylamino)thiazole-4-carbonyl]amino]acetyl]amino]propionic acid ethyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CSC(=N2)NC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CSC(=N2)NC3=CC=CC=N3

InChI

InChI=1S/C22H23N5O4S/c1-2-31-20(29)12-16(15-8-4-3-5-9-15)25-19(28)13-24-21(30)17-14-32-22(26-17)27-18-10-6-7-11-23-18/h3-11,14,16H,2,12-13H2,1H3,(H,24,30)(H,25,28)(H,23,26,27)