methyl 3-[2-[3-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H19N3O3S MolecularWeight: 453.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C26H19N3O3S/c1-17-23(33-25(28-17)22-11-3-4-14-27-22)24(30)29-21-10-6-8-19(16-21)13-12-18-7-5-9-20(15-18)26(31)32-2/h3-11,14-16H,1-2H3,(H,29,30)