[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid [2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C21H16N4O3S/c1-13(28-20(27)15-8-5-9-16-18(15)23-11-10-22-16)19(26)25-21-24-17(12-29-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25,26)