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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H17N3O3S/c1-14(28-21(27)18-12-11-16-9-5-6-10-17(16)23-18)20(26)25-22-24-19(13-29-22)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,26)/t14-/m1/s1