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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O3S/c1-18-11-13-20(14-12-18)24-15-22(21-9-5-6-10-23(21)29-24)27(33)34-16-26(32)31-28-30-25(17-35-28)19-7-3-2-4-8-19/h2-15,17H,16H2,1H3,(H,30,31,32)