(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (2-anilinothiazol-4-yl)methyl ester Formula: C27H21N3O2S MolecularWeight: 451.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c1-18-11-13-19(14-12-18)25-15-23(22-9-5-6-10-24(22)30-25)26(31)32-16-21-17-33-27(29-21)28-20-7-3-2-4-8-20/h2-15,17H,16H2,1H3,(H,28,29)