[(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2S)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1S)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H16N4O3S/c1-13(28-20(27)15-7-8-16-17(11-15)23-10-9-22-16)19(26)25-21-24-18(12-29-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25,26)/t13-/m0/s1